SCHEMBL3767007

SCHEMBL3767007

CNCCCNc1nc(C2C(=O)Nc3ccc(C(F)(F)F)cc32)c2cn(C3CCCC3)nc2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
DGAT1 O75907 1/20 0.30
PDE9A O76083 1/20 0.30

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
Hydrochloric Acid SCHEMBL2075702 0.99 KMT2A (0.32) KMT2AMEN1
SCHEMBL3762462 0.92 KMT2A (0.33) KMT2AMEN1PDE9A
Hydrochloric Acid SCHEMBL2077008 0.92 KMT2A (0.33) KMT2AMEN1PDE9A
SCHEMBL3767477 0.91 KMT2A (0.34) KMT2AMEN1DGAT1PDE9A
Hydrochloric Acid SCHEMBL2078367 0.90 KMT2A (0.34) KMT2AMEN1PDE9A
SCHEMBL2076085 0.90 KMT2A (0.37) KMT2AMEN1DGAT1PDE9A
SCHEMBL2078487 0.90 CDK2 (0.34) KMT2AMEN1DGAT1PDE9A
SCHEMBL3773462 0.89 NQO2 (0.34)
SCHEMBL2078093 0.88 DGAT1 (0.35) KMT2AMEN1DGAT1
Hydrochloric Acid SCHEMBL2076120 0.88 NQO2 (0.33)

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-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed