SCHEMBL21761933

SCHEMBL21761933

COc1cc(OC)c(F)c(-c2cc3cnc(S(C)(=O)=O)nc3n3ncnc23)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.34
FGFR2 P21802 2/20 0.34
FGFR1 P11362 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BRAF P15056 1/20 0.31
PDE1B Q01064 1/20 0.30
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
MITF O75030 1/20 0.30
STAT3 P40763 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL31466768 0.82 WEE1 (0.34) FGFR1LMNASMN1; SMN2HPGD
SCHEMBL31466967 0.81 FGFR1 (0.37) FGFR4FGFR1HTTNPSR1NPC1
SCHEMBL20943073 0.81 FGFR2 (0.35) FGFR4FGFR2FGFR1LMNASMN1; SMN2
SCHEMBL23328282 0.78 FGFR1 (0.53) FGFR4FGFR2FGFR1
SCHEMBL31466892 0.76 FGFR1 (0.37) FGFR1LMNASMN1; SMN2PDE1BHPGD
SCHEMBL21761800 0.75 PDE4A (0.33) FGFR4FGFR2FGFR1PDE1B
SCHEMBL16071547 0.74 FGFR2 (0.53) FGFR4FGFR2FGFR1
SCHEMBL31466891 0.70 FGFR1 (0.37) FGFR4FGFR2FGFR1
SCHEMBL16060872 0.69 FGFR1 (0.47) FGFR4FGFR2FGFR1
SCHEMBL20942985 0.68 FGFR1 (0.39) FGFR4FGFR2FGFR1

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-2020038458-A1 CLASS OF FUSED RING TRIAZOLE COMPOUND, PREPARATION METHOD, AND USE 如东凌达生物医药科技有限公司 2020-02-27 WO disclosed