SCHEMBL7703531

SCHEMBL7703531

O=C1Nc2cc(-c3ccco3)ccc2C1=CNc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.46
TDP2 O95551 2/20 0.42
RPS6KA3 P51812 5/20 0.37
CSF1R P07333 2/20 0.35
MAPT P10636 2/20 0.35
APP P05067 1/20 0.35
PIM1 P11309 2/20 0.35
AURKB Q96GD4 3/20 0.34
KDR P35968 2/20 0.34
CHEK1 O14757 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL7703527 1.00 RET (0.46) RETTDP2RPS6KA3CSF1RMAPT
SCHEMBL5432741 0.89 RET (0.46) RETTDP2RPS6KA3CSF1RPIM1
SCHEMBL5432746 0.89 RET (0.46) RETTDP2RPS6KA3CSF1RPIM1
SCHEMBL5873980 0.89 RET (0.46) RETTDP2RPS6KA3CSF1RPIM1
SCHEMBL5422637 0.85 NTRK3 (0.43) RETTDP2CSF1RMAPTAURKB
SCHEMBL5422639 0.85 NTRK3 (0.43) RETTDP2CSF1RMAPTAURKB
SCHEMBL5421327 0.85 RET (0.42) RETTDP2RPS6KA3CSF1RPIM1
SCHEMBL5421335 0.85 RET (0.42) RETTDP2RPS6KA3CSF1RPIM1
SCHEMBL5873797 0.85 RET (0.42) RETTDP2RPS6KA3CSF1RPIM1
SCHEMBL5437889 0.83 PDGFRB (0.46) RETTDP2CSF1RMAPTAPP

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