SCHEMBL1688647

SCHEMBL1688647

Cc1nnc2n1-c1cnc(-c3nccnc3-c3ccccc3)nc1N1CCCC21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.35
ALDH1A1 P00352 3/20 0.34
AVPR1A P37288 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 2/20 0.34
PIK3CD O00329 4/20 0.33
PIK3C2B O00750 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33

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
SCHEMBL1688616 0.82 MAPT (0.42) ALDH1A1AVPR1AMAPTLMNAMAPK1
SCHEMBL1688496 0.81 PLK1 (0.37) ALDH1A1AVPR1AMAPTLMNAMAPK1
SCHEMBL1288635 0.79 PLK1 (0.46) BRD4
SCHEMBL1288631 0.79 PLK1 (0.46) BRD4
SCHEMBL2689464 0.76 PDE2A (0.37) PIK3CGALDH1A1AVPR1AMAPTUSP2
SCHEMBL2689918 0.73 PDE2A (0.38) PIK3CGALDH1A1AVPR1AMAPTALOX15
SCHEMBL1688486 0.72 PLK2 (0.42)
SCHEMBL2689540 0.72 PDE2A (0.37) ALDH1A1AVPR1AMAPTALOX15BRD4
SCHEMBL1688434 0.71 OGG1 (0.35) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10286248 0.71 MTOR (0.39) AVPR1ALMNAPIK3CAMEN1KMT2A

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-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed