SCHEMBL5852255

SCHEMBL5852255

Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncn(-c4ccc(F)cc4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
ATM Q13315 7/20 0.38
FGFR1 P11362 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PRKCI P41743 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3846713 0.88 POLB (0.41) SRCBRAFKDRMAPK1PRKCI
SCHEMBL3847147 0.83 FGFR1 (0.39) FGFR1ALDH1A1MAPTKMT2A
SCHEMBL3849277 0.83 JAK2 (0.35) KDRFGFR1
SCHEMBL5852256 0.82 ATM (0.32) SRCBRAFKDRATMFGFR1
SCHEMBL3846776 0.81 ATM (0.41) ATMFGFR1HTTALDH1A1HPGD
SCHEMBL3847832 0.80 QPCT (0.45) ALDH1A1HPGD
SCHEMBL3845156 0.80 MAPT (0.37) ATMFGFR1HPGDMAPK1MAPT
SCHEMBL3847278 0.78 RAB9A (0.41) ALDH1A1HPGDMAPTKMT2ANPSR1
SCHEMBL3847727 0.78 PIK3CD (0.41) SRCBRAFKDRALDH1A1HPGD
SCHEMBL3855063 0.78 CYP1A2 (0.38) SRCBRAFKDRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed