SCHEMBL15834612

SCHEMBL15834612

CCc1cc(N[C@H]2CC[C@@H](N(C)C)CC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.52
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL18673024 0.89 CYP1A2 (0.43) IRAK4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18673025 0.84 BTK (0.44) IRAK4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15834084 0.84 BTK (0.44) IRAK4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19633535 0.84 HRH4 (0.51) IRAK4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15830289 0.83 MEN1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17345683 0.82 MERTK (0.47) CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19957823 0.82 MEN1 (0.42) IRAK4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17308554 0.82 MERTK (0.47) CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15833967 0.81 IRAK4 (0.53) IRAK4CYP1A2CYP3A4CYP2D6
SCHEMBL17303498 0.81 IRAK4 (0.53) IRAK4CYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
WO-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed