SCHEMBL29537513

SCHEMBL29537513

Nc1nc2ccc(-c3cnc4[nH]ccc4c3)cn2c1C(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.45
▸ CDK8 P49336 8/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ AXL P30530 2/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ MAP4K1 Q92918 1/20 0.42
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ MAP4K4 O95819 3/20 0.41

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
SCHEMBL24285867 1.00 RIPK1 (0.45) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL24285984 0.89 RIPK1 (0.47) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL29537181 0.89 RIPK1 (0.47) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL29537605 0.88 RIPK1 (0.44) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL24285858 0.88 RIPK1 (0.44) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL24286218 0.87 CTNNB1 (0.45) CCNT1CDK9PIK3CDPIK3CAPIK3CB
SCHEMBL30482216 0.87 CTNNB1 (0.45) CCNT1CDK9PIK3CDPIK3CAPIK3CB
SCHEMBL24285926 0.82 CDK2 (0.37) CDK2CDK4
SCHEMBL24285866 0.82 CDK2 (0.37) AXLPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29537712 0.82 CDK2 (0.37) AXLPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214207-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS 1st Biotherapeutics, Inc. (KR) 2023-07-26 — — EP claimed
CN-116457355-A 2-amino-3-carbonyl imidazopyridines and pyrazolopyridines compounds 第一生物治疗股份有限公司 2023-07-18 — — CN claimed
WO-2022058890-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS 1ST Biotherapeutics, Inc. (KR) 2022-03-24 — — WO claimed
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