SCHEMBL3477427

SCHEMBL3477427

CN(CCNC(=O)c1cccc(C(F)(F)F)c1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.49
BRAF P15056 13/20 0.49
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
APAF1 O14727 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 1/20 0.43
TP53BP1 Q12888 1/20 0.43
PPP1CA P62136 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL3476638 0.91 GAA (0.45) RAF1BRAFPOLBAPAF1GAA
SCHEMBL2788424 0.85 RAF1 (0.39) RAF1BRAFAPAF1GAAMAPT
SCHEMBL2789360 0.84 APAF1 (0.52) ALDH1A1POLBAPAF1GAAMAPT
SCHEMBL2770822 0.83 THRB (0.43) RAF1BRAFALDH1A1POLBGAA
SCHEMBL3477339 0.82 MAPT (0.46) ALDH1A1POLBAPAF1GAAMAPT
SCHEMBL3477429 0.82 APAF1 (0.43) ALDH1A1POLBAPAF1GAAMAPT
SCHEMBL3475711 0.80 GAA (0.44) ALDH1A1POLBAPAF1GAAMAPT
SCHEMBL3476321 0.79 MAPT (0.48) ALDH1A1POLBAPAF1GAAMAPT
SCHEMBL3476543 0.79 MAPT (0.48) ALDH1A1POLBAPAF1GAAMAPT
SCHEMBL3476026 0.79 MAPT (0.64) ALDH1A1POLBAPAF1GAAMAPT

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-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO claimed
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed