SCHEMBL9539146

SCHEMBL9539146

Cn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 2/20 0.64
GLA P06280 1/20 0.64
RXFP1 Q9HBX9 6/20 0.56
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9537153 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGLARXFP1MAPT
SCHEMBL11081671 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EGLARXFP1MAPT
SCHEMBL15798497 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EGLARXFP1MAPT
SCHEMBL23657825 0.69 LMNA (0.67) ALDH1A1RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL3798203 0.66 RXFP1 (0.41) ALDH1A1KDM4EGLARXFP1MAPT
SCHEMBL20161977 0.65 ALDH1A1 (0.51) ALDH1A1KDM4EGLARXFP1MAPT
Water SCHEMBL3902406 0.64 ALDH1A1 (0.46) ALDH1A1KDM4EGLARXFP1MAPT
SCHEMBL23462248 0.64 KMT2A (0.60) ALDH1A1RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL11523710 0.64 MCL1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL24714302 0.63 ALDH1A1 (0.68) ALDH1A1KDM4EGLARXFP1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 CN disclosed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 CN disclosed
EP-0243311-B1 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1993-06-09 EP disclosed
US-4808587-A ANTIALLEGENS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0243311-A2 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1987-10-28 EP disclosed