SCHEMBL29782814

SCHEMBL29782814

Cc1[nH]c2c(C(N)=O)ccc(N[C@@H]3CCCNC3)c2c1C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.62
CHEK1 O14757 4/20 0.57
KCNH2 Q12809 4/20 0.57
FLT3 P36888 1/20 0.48

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
SCHEMBL17699720 1.00 BTK (0.62) BTKCHEK1KCNH2FLT3
SCHEMBL17699634 0.93 BTK (0.63) BTKCHEK1KCNH2
SCHEMBL17699859 0.93 BTK (0.63) BTKCHEK1KCNH2
SCHEMBL29782460 0.93 BTK (0.63) BTKCHEK1KCNH2
SCHEMBL29782781 0.93 BTK (0.63) BTKCHEK1KCNH2
SCHEMBL17699570 0.93 BTK (0.63) BTKCHEK1KCNH2
SCHEMBL29782505 0.86 BTK (0.69) BTK
SCHEMBL17699525 0.86 BTK (0.69) BTK
SCHEMBL23231101 0.80 BTK (0.43) BTKCHEK1KCNH2
SCHEMBL17699641 0.79 BTK (0.61) BTK

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-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed