SCHEMBL29631642

SCHEMBL29631642

COc1ccc(-c2cnc(N)c(-c3cc(F)c(N)cc3F)c2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 17/20 0.59
▸ CHEK2 O96017 3/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ TGFBR1 P36897 3/20 0.53
▸ ACVR1 Q04771 1/20 0.49

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
SCHEMBL28343466 1.00 FYN (0.59) FYNCHEK2CHEK1TGFBR1ACVR1
SCHEMBL18832210 0.86 FYN (0.65) FYNCHEK2CHEK1TGFBR1ACVR1
SCHEMBL30505716 0.86 FYN (0.65) FYNCHEK2CHEK1TGFBR1ACVR1
SCHEMBL15334326 0.85 FYN (0.60) FYNCHEK2CHEK1TGFBR1
SCHEMBL29631737 0.85 FYN (0.60) FYNCHEK2CHEK1TGFBR1
SCHEMBL18861106 0.84 FYN (0.61) FYNCHEK2CHEK1TGFBR1ACVR1
SCHEMBL18860989 0.81 FYN (0.55) FYNCHEK2CHEK1TGFBR1
SCHEMBL21776556 0.80 FYN (0.56) FYNCHEK2CHEK1TGFBR1ACVR1
SCHEMBL18832218 0.79 FYN (0.58) FYNCHEK2CHEK1TGFBR1ACVR1
SCHEMBL29576661 0.79 FYN (0.76) FYNCHEK2CHEK1TGFBR1ACVR1

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-110520416-B Polysubstituted pyridone derivative, preparation method and medical application thereof 北京越之康泰生物医药科技有限公司 2022-06-03 — — CN disclosed
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