SCHEMBL2858043

SCHEMBL2858043

Cc1cccc(C(=O)C#CC(=O)NC2CCN(c3nc(C)c(C)s3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
CYP2C19 P33261 1/20 0.39
BTK Q06187 1/20 0.39
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 2/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CCR2 P41597 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2863170 0.89 PPARG (0.36) CCNE1CDK2BTKPPARDPPARA
SCHEMBL2859083 0.87 CCNE1 (0.40) CCNE1CDK2CYP2C19BTKCTDSP1
SCHEMBL972939 0.86 BTK (0.38) CCNE1CDK2BTKPPARDPPARA
SCHEMBL2862996 0.85 CCNE1 (0.38) CCNE1CDK2CYP2C19BTKCTDSP1
SCHEMBL2858190 0.84 MEN1 (0.38) CCNE1CDK2CYP2C19BTKPPARD
SCHEMBL2861257 0.83 SMN1; SMN2 (0.37) CCNE1CDK2BTKMEN1KMT2A
SCHEMBL974290 0.80 BTK (0.38) BTKPPARDPPARAPPARGNPC1
SCHEMBL973992 0.80 BTK (0.45) BTKPPARDPPARANPC1RAB9A
SCHEMBL973419 0.79 PPARA (0.39) CCNE1CDK2BTKPPARDPPARA
SCHEMBL974372 0.78 SMPD3 (0.36) BTKPPARDPPARANPC1RAB9A

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
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed