SCHEMBL3624752

SCHEMBL3624752

CC1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX1 P07099 1/20 0.47
GPR119 Q8TDV5 4/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM1 P11229 1/20 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
SCHEMBL16845137 0.91 HPGD (0.50) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL310354 0.91 HPGD (0.51) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL24183616 0.89 HPGD (0.51) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL24267253 0.86 HPGD (0.53) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL15017274 0.85 HPGD (0.49) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL15017470 0.85 HPGD (0.49) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL8276848 0.84 RECQL (0.54) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL8056889 0.84 RECQL (0.54) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL264879 0.84 RECQL (0.54) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL117231 0.84 HPGD (0.48) RECQLHPGDUSP2SMN1; SMN2EPHX1

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
EP-2142537-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-13 EP disclosed
WO-2008115973-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO disclosed