SCHEMBL24327374

SCHEMBL24327374

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)nc3)cnc2N)cn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.64
FGFR2 P21802 10/20 0.49
FGFR3 P22607 10/20 0.49
FGFR1 P11362 7/20 0.49
MAPK1 P28482 5/20 0.47
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL29498950 1.00 KCNH2 (0.64) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL29498946 1.00 KCNH2 (0.64) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL24327773 0.85 KCNH2 (0.55) KCNH2FGFR2FGFR3FGFR1MAPK1
SCHEMBL24327872 0.82 KCNH2 (0.46) KCNH2FGFR2FGFR3FGFR1CCNE2
SCHEMBL24327855 0.80 LRRK2 (0.58) FGFR2FGFR3FGFR1MAPK1
SCHEMBL24327827 0.79 FGFR3 (0.53) FGFR2FGFR3FGFR1MAPK1
SCHEMBL29498947 0.78 MAPK1 (0.51) FGFR2FGFR3FGFR1MAPK1
SCHEMBL15201275 0.78 KCNH2 (1.00) KCNH2
SCHEMBL24327885 0.78 MAPK1 (0.51) FGFR2FGFR3FGFR1MAPK1
SCHEMBL25404864 0.77 MET (0.42) KCNH2FGFR2FGFR3MAPK1

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-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
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed