SCHEMBL16090945

SCHEMBL16090945

COC[C@@H](C)Nc1ccncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ LPAR1 Q92633 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ CDK2 P24941 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39

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
SCHEMBL23415410 0.79 LPAR1 (0.42) HCAR3SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL30593394 0.78 LPAR1 (0.41) HCAR3SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL29904796 0.78 HCAR3 (0.52) HCAR3SMN1; SMN2CYP2C19HTTPDE10A
SCHEMBL5555518 0.76 HCAR3 (0.42) HCAR3SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL30797267 0.74 HCAR3 (0.43) HCAR3LPAR1IRAK4MAPKAPK2KDR
SCHEMBL13103478 0.73 HCAR3 (0.62) HCAR3CYP2D6PDE10ACDK2CDC7
SCHEMBL16160635 0.73 CYP1A2 (0.55) HCAR3SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17623017 0.73 HCAR3 (0.44) HCAR3CYP1A2CYP2D6CYP2C19PDE10A
SCHEMBL20355865 0.73 KDR (0.37) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21360101 0.72 CYP1A2 (0.57) HCAR3SMN1; SMN2CYP1A2CYP3A4CYP2D6

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-2014144169-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 — — WO disclosed
Send feedback