SCHEMBL7547880

SCHEMBL7547880

O=C1Nc2ccc(OP(=O)(O)O)cc2C1=Cc1c[nH]c2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.64
CHEK2 O96017 1/20 0.54
CDK1 P06493 1/20 0.54
SRC P12931 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
NTRK1 P04629 6/20 0.43
RET P07949 3/20 0.43
KDR P35968 3/20 0.43
NTRK3 Q16288 3/20 0.43
NTRK2 Q16620 3/20 0.43
PRKD3 O94806 2/20 0.43
ABL1 P00519 2/20 0.43
PDGFRB P09619 2/20 0.43
LTK P29376 2/20 0.43
FLT3 P36888 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CDK7 P50613 2/20 0.43
MAP2K1 Q02750 2/20 0.43

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
SCHEMBL7555739 0.92 CHEK1 (0.67) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8584419 0.84 NTRK1 (0.63) CHEK1NTRK1RETKDRNTRK3
SCHEMBL8584423 0.84 NTRK1 (0.63) CHEK1NTRK1RETKDRNTRK3
SCHEMBL8467705 0.83 CHEK1 (0.73) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8467707 0.83 CHEK1 (0.73) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7551557 0.81 CHEK1 (0.60) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7551548 0.81 CHEK1 (0.60) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8528517 0.80 TLK2 (0.42) CHEK1NTRK1RETKDRNTRK3
SCHEMBL7556312 0.80 CHEK1 (0.58) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7556317 0.80 CHEK1 (0.58) CHEK1CHEK2CDK1SRCCSNK2A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715628-B1 SUBSTITUTED AZAINDOLYLIDENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA ITALIA SPA (IT) 2002-10-02 EP claimed
EP-0715628-A1 SUBSTITUTED AZAINDOLYLIDENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-06-12 EP claimed
WO-1996000226-A1 SUBSTITUTED AZAINDOLYLIDENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA S.P.A. (IT) 1996-01-04 WO claimed
EP-0715628-B1 SUBSTITUTED AZAINDOLYLIDENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA ITALIA SPA (IT) 2002-10-02 EP disclosed
US-5663346-A ENZYME INHIBITORS PHARMACIA S.P.A. (IT) 1997-09-02 US disclosed
EP-0715628-A1 SUBSTITUTED AZAINDOLYLIDENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-06-12 EP disclosed
WO-1996000226-A1 SUBSTITUTED AZAINDOLYLIDENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA S.P.A. (IT) 1996-01-04 WO disclosed