SCHEMBL7704891

SCHEMBL7704891

O=C1Nc2cc(Br)ccc2/C1=C/Nc1ccc(Cc2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.47
NPSR1 Q6W5P4 3/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 1/20 0.41
MAPT P10636 2/20 0.40
CSF1R P07333 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
CHEK1 O14757 1/20 0.36
CCNB2 O95067 2/20 0.36

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
SCHEMBL7704893 1.00 TGM2 (0.47) TGM2NPSR1STAT3HTTCYP1A2
SCHEMBL5419163 0.85 CSF1R (0.39) TGM2NPSR1STAT3HTTCYP1A2
SCHEMBL5419164 0.85 CSF1R (0.39) TGM2NPSR1STAT3HTTCYP1A2
SCHEMBL5422747 0.82 TGM2 (0.43) TGM2KDRPIM1PIM3PIM2
SCHEMBL5422752 0.82 TGM2 (0.43) TGM2KDRPIM1PIM3PIM2
SCHEMBL5873845 0.82 TGM2 (0.43) TGM2KDRPIM1PIM3PIM2
SCHEMBL5430267 0.80 RET (0.41) CSF1RCHEK1LMNA
SCHEMBL5430258 0.80 RET (0.41) CSF1RCHEK1LMNA
SCHEMBL5873972 0.78 CHEK1 (0.37) TGM2NPSR1HTTCSF1RALDH1A1
SCHEMBL5432258 0.76 LRRK2 (0.48) TGM2SMN1; SMN2KDRMAPTALDH1A1

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