SCHEMBL28115710

SCHEMBL28115710

C[C@H](O)CNC(=O)c1cccnc1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.52
NAPRT Q6XQN6 1/20 0.50
P2RX7 Q99572 1/20 0.45
PIK3CD O00329 1/20 0.44
VCP P55072 5/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ACVR1 Q04771 1/20 0.42
ACR P10323 1/20 0.42
ACVR1B P36896 2/20 0.42
TGFBR1 P36897 2/20 0.42
KMT2A Q03164 1/20 0.41
GPR52 Q9Y2T5 2/20 0.40

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
SCHEMBL29520153 0.81 PRKCI (0.58) PRKCINAPRTP2RX7PIK3CDVCP
SCHEMBL13973141 0.81 PRKCI (0.58) PRKCINAPRTP2RX7PIK3CDVCP
SCHEMBL21185859 0.79 KDM4E (0.57) GAAACRKMT2A
SCHEMBL11538362 0.79 PRKCI (0.55) PRKCINAPRTP2RX7VCPKMT2A
SCHEMBL28765983 0.78 PRKCI (0.58) PRKCINAPRTP2RX7PIK3CDVCP
SCHEMBL5674946 0.78 ALDH1A1 (0.55) ADORA2AADORA1ACR
SCHEMBL18205768 0.78 ALDH1A1 (0.55) ADORA2AADORA1ACR
SCHEMBL18205787 0.78 ALDH1A1 (0.55) ADORA2AADORA1ACR
SCHEMBL11538360 0.78 PRKCI (0.58) PRKCINAPRTP2RX7VCPMAPT
SCHEMBL26693008 0.77 P2RX7 (0.66) PRKCINAPRTP2RX7VCPKMT2A

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-106132950-A Compounds and methods of use 麦迪韦逊技术股份有限公司 2016-11-16 CN disclosed