SCHEMBL904032

SCHEMBL904032

CCCc1cnc(N2CC3[C@@H](COc4ccc(-c5ccncc5F)nc4)[C@@H]3C2)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.37
GPR119 Q8TDV5 6/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM2 Q14416 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL904171 0.92 GPR119 (0.41) GPR119CYP11B1CYP11B2GRM2
SCHEMBL904073 0.88 GPR119 (0.36) ACACBGPR119CYP11B1CYP11B2GRM2
SCHEMBL10067592 0.88 GPR119 (0.36) ACACBGPR119CYP11B1CYP11B2GRM2
SCHEMBL904041 0.86 GPR119 (0.35) ACACBGPR119CYP11B1CYP11B2
SCHEMBL903979 0.85 MKNK1 (0.35) ACACBGPR119
SCHEMBL904072 0.82 ACACB (0.33) ACACBGPR119MEN1KMT2AGRM2
SCHEMBL10067579 0.82 GPR119 (0.38) GPR119
SCHEMBL904154 0.80 GPR119 (0.33) GPR119CYP11B1CYP11B2
SCHEMBL10068058 0.77 GPR119 (0.47) GPR119CYP11B1CYP11B2RAB9ATP53
SCHEMBL904187 0.76 MKNK1 (0.40)

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-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed