SCHEMBL28201588

SCHEMBL28201588

COCCc1ccncc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.37
▸ MAPT P10636 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32
▸ LATS1 O95835 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ NFATC1 O95644 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ SSTR4 P31391 2/20 0.32

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
SCHEMBL21503642 0.81 CYP2E1 (0.44) CYP1A2CYP2C19CYP2C9LOXL2ALDH1A1
SCHEMBL17981893 0.77 LOXL2 (0.48) CYP2C19CYP2C9LOXL2
SCHEMBL18986509 0.77 LOXL2 (0.57) CYP1A2CYP2C19CYP2C9LOXL2
SCHEMBL805511 0.77 ALDH1A1 (0.45) CYP1A2CYP2C19CYP2C9LOXL2ALDH1A1
SCHEMBL19997562 0.75 TDP1 (0.44) MAPTCYP3A4ALOX15TSHRTDP1
SCHEMBL14969341 0.75 IDO1 (0.52) CYP1A2CYP2C19GLACYP2C9CLK4
SCHEMBL17318488 0.74 SCN9A (0.40) MAPTLOXL2ALDH1A1LATS1CYP11B1
SCHEMBL22493240 0.74 LATS1 (0.39) LOXL2ALDH1A1LATS1SSTR4SLC22A12
SCHEMBL20519350 0.74 PARP1 (0.35) CYP2C19CYP2C9LOXL2CYP11B1CYP11B2
SCHEMBL27290295 0.74 CYP11B1 (0.34) MAPTCYP2C19CYP2C9LOXL2ALDH1A1

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
CN-105683188-B The ring pyridinyl derivatives of condensed ring two as FGFR4 inhibitor 诺华股份有限公司 2018-02-09 — — CN disclosed
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