SCHEMBL24327987

SCHEMBL24327987

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cnc2NNC(=S)NC2CCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AXL P30530 4/20 0.39
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
TYRO3 Q06418 2/20 0.39
MERTK Q12866 2/20 0.39
XBP1 P17861 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
KCNH2 Q12809 2/20 0.36
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
LRRK2 Q5S007 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL24328692 0.87 EPHB4 (0.40) LMNASMN1; SMN2EPHB4TEKKCNH2
SCHEMBL29498914 0.77 EPHB4 (0.46) EPHB4TEKKCNH2CCNKCCNA2
SCHEMBL24328691 0.77 EPHB4 (0.46) EPHB4TEKKCNH2CCNKCCNA2
SCHEMBL29601464 0.71 KDR (0.44) CDK2AURKAAURKB
SCHEMBL24327773 0.71 KCNH2 (0.55) EPHB4TEKKCNH2
SCHEMBL24327329 0.70 EPHB4 (0.42) AXLGABBR2GABBR1TYRO3MERTK
SCHEMBL28724019 0.64 FGFR3 (0.51) SMN1; SMN2KCNH2CDK2LRRK2AURKA
SCHEMBL24327401 0.64 LRRK2 (0.45) AXLEPHB4TEKCCNA2CDK2
SCHEMBL24539466 0.63 MAPK1 (0.41) SMN1; SMN2AXLEPHB4TEKCCNA2
SCHEMBL24327324 0.63 FGFR3 (0.50) KCNH2CDK2AURKAAURKB

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-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed