SCHEMBL7703523

SCHEMBL7703523

O=C1Nc2cc(Br)ccc2/C1=C\Nc1cccc(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.45
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
CCNB2 O95067 4/20 0.41
CDK1 P06493 4/20 0.41
CCNB1 P14635 4/20 0.41
CCNB3 Q8WWL7 4/20 0.41
HSP90AA1 P07900 1/20 0.40
CCR6 P51684 1/20 0.40
KDR P35968 1/20 0.39
NTRK1 P04629 1/20 0.38
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 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
SCHEMBL5893993 1.00 TGM2 (0.45) TGM2PIM1PIM3PIM2CCNB2
SCHEMBL5893997 1.00 TGM2 (0.45) TGM2PIM1PIM3PIM2CCNB2
SCHEMBL4987422 0.86 ALDH1A1 (0.49) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL4987427 0.86 ALDH1A1 (0.49) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL5167993 0.84 MAOA (0.46) PIM1KDRNTRK1PRKAA1ALDH1A1
SCHEMBL5426677 0.84 MAOA (0.46) PIM1KDRNTRK1PRKAA1ALDH1A1
SCHEMBL5422752 0.81 TGM2 (0.43) TGM2PIM1PIM3PIM2CCNB2
SCHEMBL5422747 0.81 TGM2 (0.43) TGM2PIM1PIM3PIM2CCNB2
SCHEMBL5873845 0.81 TGM2 (0.43) TGM2PIM1PIM3PIM2CCNB2
SCHEMBL7706680 0.80 RET (0.42) PIM1KDRNTRK1PRKAA1ALDH1A1

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
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US claimed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP claimed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO claimed