SCHEMBL18781271

SCHEMBL18781271

CCOc1cc(N)cc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ LMNA P02545 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ FGFR2 P21802 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NQO1 P15559 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ PAX8 Q06710 1/20 0.35
▸ S1PR1 P21453 1/20 0.35

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
SCHEMBL2153419 0.84 TP53 (0.61) MAPTALDH1A1TP53CYP3A4TSHR
SCHEMBL816372 0.84 MAPT (0.52) MAPTALDH1A1TP53CYP3A4LMNA
SCHEMBL16959259 0.83 L3MBTL1 (0.44) MAPTALDH1A1L3MBTL1LMNAFGFR2
SCHEMBL21432531 0.83 L3MBTL1 (0.44) TSHRL3MBTL1LMNAFGFR2FGFR3
SCHEMBL24051492 0.82 L3MBTL1 (0.41) MAPTALDH1A1TP53CYP3A4TSHR
SCHEMBL16959256 0.81 L3MBTL1 (0.43) MAPTALDH1A1TP53CYP3A4TSHR
SCHEMBL16770632 0.81 L3MBTL1 (0.43) MAPTTSHRTDP1L3MBTL1LMNA
SCHEMBL19433327 0.80 MAPT (0.36) MAPTALDH1A1TP53CYP3A4TSHR
SCHEMBL7043105 0.80 TP53 (0.61) MAPTALDH1A1TP53CYP3A4TSHR
SCHEMBL27213513 0.80 MAPT (0.46) MAPTALDH1A1TP53CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070708-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA, INC. (US) 2017-04-27 — — WO disclosed
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