SCHEMBL7706680

SCHEMBL7706680

O=C1Nc2cc(-c3ccco3)ccc2C1=CNc1cccc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.42
TDP2 O95551 2/20 0.39
ABL1 P00519 3/20 0.36
PRMT6 Q96LA8 1/20 0.35
TLK2 Q86UE8 3/20 0.35
RPS6KA3 P51812 2/20 0.34
CHEK1 O14757 3/20 0.34
AURKB Q96GD4 2/20 0.34
CSF1R P07333 2/20 0.34
PIM1 P11309 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 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
FLT1 P17948 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
SCHEMBL7706679 1.00 RET (0.42) RETTDP2ABL1PRMT6TLK2
SCHEMBL5426677 0.85 MAOA (0.46) RETABL1RPS6KA3CHEK1AURKB
SCHEMBL5167993 0.85 MAOA (0.46) RETABL1RPS6KA3CHEK1AURKB
SCHEMBL5873797 0.84 RET (0.42) RETTDP2ABL1TLK2RPS6KA3
SCHEMBL5421327 0.84 RET (0.42) RETTDP2ABL1TLK2RPS6KA3
SCHEMBL5421335 0.84 RET (0.42) RETTDP2ABL1TLK2RPS6KA3
SCHEMBL5427646 0.83 RET (0.42) RETTDP2CHEK1CSF1RPIM1
SCHEMBL5171570 0.83 RET (0.42) RETTDP2CHEK1CSF1RPIM1
SCHEMBL5429349 0.83 CHEK1 (0.46) RETTDP2RPS6KA3CHEK1KDR
SCHEMBL5429344 0.83 CHEK1 (0.46) RETTDP2RPS6KA3CHEK1KDR

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