SCHEMBL10634597

SCHEMBL10634597

CSc1nc2cc(-c3ccccc3)nn2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ BRAF P15056 1/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ DHFR P00374 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PDE5A O76074 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL10628035 0.79 HTT (0.52) MEN1KMT2AKDM4EMAPT
SCHEMBL7446291 0.71 HPGD (0.50) BRAFDHFRMEN1KMT2AKDM4E
SCHEMBL26790950 0.68 BRAF (0.61) BRAFDHFRMEN1KMT2AKDM4E
SCHEMBL5457663 0.68 NPC1 (0.52) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL5449490 0.67 NPC1 (0.70) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL5025892 0.67 LMNA (0.66) RAB9ALMNADHFRMEN1KMT2A
SCHEMBL325288 0.67 PROKR1 (0.54) LMNANPSR1MAPT
SCHEMBL11841190 0.66 P2RX4 (0.58) BRAFMEN1KMT2AKDM4ENPSR1
SCHEMBL10634619 0.65 NPC1 (0.67) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4009041 0.65 ADORA3 (0.41) LMNABRAFMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4767858-A Anti-arthritic pyrazolo-triazine derivatives BIOMEASURE, INCORPORATED (US) 1988-08-30 — — US claimed
EP-0207651-A2 Anti-inflammatory 7-phenyl pyrazolo-[1,5A]-1,3,5-triazine derivatives BIOMEASURE, INC. (US) 1987-01-07 — — EP claimed
US-4767858-A Anti-arthritic pyrazolo-triazine derivatives BIOMEASURE, INCORPORATED (US) 1988-08-30 — — US disclosed
US-4734414-A Anti-inflammatory and anti-arthritic pyrazolo-[1,5-a]-1,3,5-triazine derivatives, compositions, and method of use therefor BIOMEASURE, INC. (US) 1988-03-29 — — US disclosed
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