SCHEMBL3767477

SCHEMBL3767477

NCCNc1nc(C2C(=O)Nc3ccc(C(F)(F)F)cc32)c2cn(C3CCCC3)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PDE9A O76083 2/20 0.31
BCDIN3D Q7Z5W3 3/20 0.31
DGAT1 O75907 1/20 0.30
MPO P05164 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 SCHEMBL2078367 0.99 KMT2A (0.34) KMT2AMEN1PDE9ABCDIN3D
SCHEMBL3762462 0.95 KMT2A (0.33) KMT2AMEN1PDE9A
Hydrochloric Acid SCHEMBL2077008 0.95 KMT2A (0.33) KMT2AMEN1PDE9A
SCHEMBL2078487 0.91 CDK2 (0.34) KMT2AMEN1PDE9ADGAT1
SCHEMBL3767007 0.91 KMT2A (0.33) KMT2AMEN1PDE9ADGAT1
Hydrochloric Acid SCHEMBL2075702 0.90 KMT2A (0.32) KMT2AMEN1
SCHEMBL2078093 0.90 DGAT1 (0.35) KMT2AMEN1DGAT1
SCHEMBL2076085 0.89 KMT2A (0.37) KMT2AMEN1PDE9ADGAT1MPO
SCHEMBL2075490 0.89 KMT2A (0.33) KMT2AMEN1PDE9A
SCHEMBL2076097 0.89 KMT2A (0.33) KMT2AMEN1PDE9ABCDIN3D

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