SCHEMBL24327773

SCHEMBL24327773

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cnc2N)cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.55
FGFR2 P21802 8/20 0.53
FGFR3 P22607 8/20 0.53
FGFR1 P11362 5/20 0.48
MAPK1 P28482 4/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
NPBWR1 P48145 1/20 0.44

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
SCHEMBL24327374 0.85 KCNH2 (0.64) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL29498946 0.85 KCNH2 (0.64) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL29498950 0.85 KCNH2 (0.64) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL29498914 0.84 EPHB4 (0.46) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL24328691 0.84 EPHB4 (0.46) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL24327855 0.84 LRRK2 (0.58) FGFR2FGFR3FGFR1MAPK1EPHB4
SCHEMBL24327827 0.83 FGFR3 (0.53) FGFR2FGFR3FGFR1MAPK1
SCHEMBL29498947 0.82 MAPK1 (0.51) FGFR2FGFR3FGFR1MAPK1
SCHEMBL24327885 0.82 MAPK1 (0.51) FGFR2FGFR3FGFR1MAPK1
SCHEMBL24327883 0.80 TEK (0.46) KCNH2FGFR2FGFR3EPHB4TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114369097-B Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2023-07-14 CN disclosed
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed