SCHEMBL11158152

SCHEMBL11158152

COc1ccc(CNc2nc(-c3ccccc3)ncc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ HTT P42858 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.53
▸ ASPH Q12797 2/20 0.53
▸ KDM8 Q8N371 2/20 0.53
▸ RIOX2 Q8IUF8 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ CLK4 Q9HAZ1 3/20 0.52
▸ VNN1 O95497 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ AGTR1 P30556 3/20 0.49
▸ AGTR2 P50052 3/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ NPC1 O15118 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11159729 0.88 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL34462257 0.82 KDM4E (0.53) ALDH1A1MEN1KMT2AKDM4EASPH
SCHEMBL16824948 0.81 KDM4E (0.54) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL34462321 0.81 KDM4E (0.54) ALDH1A1KDM4EASPHKDM8RIOX2
SCHEMBL11160675 0.79 MEN1 (0.51) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL3255471 0.79 MEN1 (0.54) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL11162717 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL34462329 0.79 KDM4E (0.52) ALDH1A1KDM4EASPHKDM8RIOX2
SCHEMBL34462355 0.79 JAK3 (0.54) KDM4EASPHKDM8RIOX2VNN1
SCHEMBL11164512 0.78 NPSR1 (0.67) ALDH1A1MEN1KMT2AHTTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0018139-B1 PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR PREPARING THE PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1983-05-04 — — EP disclosed
US-4301281-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid amides AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-17 — — US disclosed
US-4255568-A ANTIALLERGENS AND ANTISECRETORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-10 — — US disclosed
US-4236004-A 2-Alkylsulphonyl-7,8-dihydro-5-hydroxy-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-25 — — US disclosed
US-4233446-A 5-Chloro-7,8-dihydro-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-11 — — US disclosed
EP-0018139-A2 Pyrido (2,3-d) pyrimidine derivatives, pharmaceutical compositions containing them and processes for preparing the pyrido (2,3-d) pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-10-29 — — EP disclosed
US-4215216-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-29 — — US disclosed
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