SCHEMBL13768872

SCHEMBL13768872

CC1(C)CN(c2ccc(N)nn2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
PRKCQ Q04759 1/20 0.44
CSNK1E P49674 4/20 0.41
CDK4 P11802 10/20 0.40
CDK6 Q00534 3/20 0.40
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
BPTF Q12830 1/20 0.37
LATS1 O95835 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36

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
SCHEMBL18291260 0.82 HRH4 (0.38) HDAC1PRKCQCDK4BPTF
SCHEMBL3723054 0.75 BPTF (0.62) BPTF
SCHEMBL13769162 0.75 CDK4 (0.44) HDAC1PRKCQCDK4CDK6
Hydrochloric Acid SCHEMBL21274572 0.74 BPTF (0.61) BPTF
SCHEMBL18290954 0.71 PTPN11 (0.45)
SCHEMBL16580827 0.71 MAPT (0.46) HDAC1PRKCQLATS1
SCHEMBL18291245 0.71 HRH3 (0.38) BPTF
SCHEMBL18096405 0.71 PLD1 (0.58) HDAC1PRKCQCSNK1E
SCHEMBL30426817 0.71 HDAC1 (0.45) HDAC1PRKCQCSNK1ECDK4CDK6
Hydrochloric Acid SCHEMBL23124046 0.70 PLD1 (0.57) HDAC1PRKCQCSNK1E

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-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 WO disclosed