SCHEMBL25485629

SCHEMBL25485629

N#Cc1nc(C#N)c2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 11/20 0.39
▸ PIM2 Q9P1W9 10/20 0.39
▸ PIM3 Q86V86 4/20 0.39
▸ LIMK1 P53667 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ PTGIR P43119 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ TNKS O95271 2/20 0.34
▸ TNKS2 Q9H2K2 2/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL25484466 0.87 LIMK1 (0.45) PIM1PIM2PIM3LIMK1
SCHEMBL25490264 0.86 LIMK1 (0.40) PIM1PIM2LIMK1MAPTGPR3
SCHEMBL25484787 0.82 ALOX5 (0.41) PIM1PIM2PIM3LIMK1ALOX5
SCHEMBL25485006 0.81 LIMK1 (0.35) PIM1PIM2PIM3LIMK1
SCHEMBL25484460 0.81 PIM1 (0.35) PIM1PIM2PIM3LIMK1
SCHEMBL25490606 0.78 ADORA2A (0.34) MAPT
SCHEMBL25484880 0.74 LIMK1 (0.35) PIM1PIM2PIM3LIMK1EGLN1
SCHEMBL20030284 0.72 LIMK1 (0.41) PIM1PIM2PIM3LIMK1MAPT
SCHEMBL15836057 0.72 GPR3 (0.67) PIM3LIMK1MAPTPTGIRGPR3
SCHEMBL20706794 0.72 GPR3 (0.67) PIM3LIMK1MAPTPTGIRGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078812-A1 BENZOFURO[3,2-D]PYRIMIDINO-2,4-DICARBONITRIL DERIVATIVES AND SIMILAR COMPOUNDS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2023-05-11 — — WO disclosed
Send feedback