SCHEMBL3157113

SCHEMBL3157113

CN(C)CC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
HTT P42858 1/20 0.35
ROCK2 O75116 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FLT3 P36888 1/20 0.34
AURKB Q96GD4 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
SENP1 Q9P0U3 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLAU P00749 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PDPK1 O15530 1/20 0.33
CASP3 P42574 2/20 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
SCHEMBL3157104 1.00 BACE1 (0.38) BACE1HTTROCK2RXFP1FLT3
SCHEMBL3158717 0.94 BACE1 (0.38) BACE1HTTRXFP1FLT3AURKB
SCHEMBL3158729 0.94 BACE1 (0.38) BACE1HTTRXFP1FLT3AURKB
SCHEMBL437153 0.91 SENP1 (0.43) BACE1HTTRXFP1TP53MAPT
SCHEMBL1116389 0.91 SENP1 (0.43) BACE1HTTRXFP1TP53MAPT
SCHEMBL23037445 0.91 SENP1 (0.43) BACE1HTTRXFP1TP53MAPT
SCHEMBL31093996 0.91 SENP1 (0.43) BACE1HTTRXFP1TP53MAPT
SCHEMBL2571202 0.90 SENP1 (0.40) RXFP1MAPTSENP1SMN1; SMN2ALDH1A1
SCHEMBL2571200 0.90 SENP1 (0.40) RXFP1MAPTSENP1SMN1; SMN2ALDH1A1
SCHEMBL4490910 0.90 CCNB2 (0.36) BACE1HTTFLT3AURKBSENP1

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
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed