SCHEMBL26931044

SCHEMBL26931044

CC(C)(C)OC(=O)NCCCc1c(Nc2cnc(C(F)(F)F)cc2C(=O)O)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1B P36896 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ ACVRL1 P37023 1/20 0.39
▸ DHODH Q02127 3/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ITK Q08881 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ STK17B O94768 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ MAPK3 P27361 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
SCHEMBL26944617 0.92 ACVR1B (0.38) ACVR1BTGFBR1ACVRL1CA12CA1
SCHEMBL30660386 0.92 ACVR1B (0.38) ACVR1BTGFBR1ACVRL1CA12CA1
SCHEMBL26931239 0.86 TAS2R14 (0.43) ACVR1BTGFBR1ACVRL1DHODHP2RY14
SCHEMBL26930945 0.85 BRD4 (0.38) ACVR1BTGFBR1ACVRL1DHODHP2RY14
SCHEMBL30660320 0.84 STING1 (0.35) ACVR1BTGFBR1ACVRL1BRD4STING1
SCHEMBL24550793 0.82 DHODH (0.41) DHODHSYK
SCHEMBL30824177 0.82 DHODH (0.41) DHODHSYK
SCHEMBL30660476 0.78 BRD4 (0.38) ACVR1BTGFBR1ACVRL1P2RY14CA12
SCHEMBL26931153 0.78 BRD4 (0.38) ACVR1BTGFBR1ACVRL1P2RY14CA12
SCHEMBL24550624 0.78 DHODH (0.47) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119325476-A Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2025-01-17 — — CN disclosed
WO-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 — — WO disclosed
WO-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 — — WO disclosed
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