SCHEMBL7097681

SCHEMBL7097681

NCc1ccnc(Cc2ccc(-c3n[nH]c4c3sc3ccccc34)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 2/20 0.32
FGFR3 P22607 2/20 0.32
FGFR1 P11362 1/20 0.32
ROCK1 Q13464 3/20 0.32
ROCK2 O75116 2/20 0.31
CDC7 O00311 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31
GSK3B P49841 1/20 0.31
AURKB Q96GD4 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL7090910 0.77 LIMK2 (0.34) ROCK1PTPN1MEN1MAPTRAB9A
SCHEMBL7096389 0.75 MAPT (0.41) FGFR2FGFR1ROCK1MAP4K4KDR
SCHEMBL7000848 0.75 ALDH1A1 (0.49) FGFR1ROCK1MAP4K4CDK2KDR
SCHEMBL7886097 0.74 NOS2 (0.52) MEN1RAB9AKMT2A
SCHEMBL7092191 0.74 CXCR4 (0.51) FGFR1ROCK1ROCK2CDC7JAK2
SCHEMBL7096045 0.73 LRRK2 (0.43) ROCK1ROCK2MAP4K4PRKACAAURKB
SCHEMBL7094698 0.72 PDPK1 (0.43) FGFR2FGFR3FGFR1PTPN1MEN1
SCHEMBL7095837 0.72 MEN1 (0.51) ROCK1MEN1MAPTRAB9AKMT2A
SCHEMBL7090318 0.72 CSF1R (0.41) ROCK1MAP4K4CDK2AURKBCLK4
SCHEMBL6994774 0.72 MEN1 (0.38) ROCK1MEN1MAPTRAB9AKMT2A

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
EP-1268437-A1 INHIBITORS OF PROTEIN KINASES Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2002030908-A1 INHIBITORS OF PROTEIN KINASES KNOLL GMBH (DE) 2002-04-18 WO disclosed
US-6297238-B1 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed