SCHEMBL264119

SCHEMBL264119

Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3CCCCC3C(F)(F)F)c(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.47
NOD2 Q9HC29 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2F2 P24468 1/20 0.44

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
SCHEMBL264118 0.87 MEN1 (0.59) KMT2AMEN1MAPTTP53POLB
SCHEMBL264528 0.86 KMT2A (0.64) KMT2AMEN1MAPTTP53POLB
SCHEMBL264569 0.84 MAPT (0.70) KMT2AMEN1MAPTTP53POLB
SCHEMBL268839 0.84 MAPT (0.53) KMT2AMEN1MAPTTP53POLB
SCHEMBL264772 0.84 KMT2A (0.59) KMT2AMEN1MAPTTP53POLB
SCHEMBL264773 0.84 KMT2A (0.59) KMT2AMEN1MAPTTP53POLB
SCHEMBL264083 0.83 MEN1 (0.62) KMT2AMEN1MAPTTP53POLB
SCHEMBL265278 0.82 MEN1 (0.61) KMT2AMEN1MAPTTP53POLB
SCHEMBL263886 0.82 SMN1; SMN2 (0.61) KMT2AMEN1MAPTTP53POLB
SCHEMBL264808 0.81 MEN1 (0.62) KMT2AMEN1MAPTTP53POLB

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
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US claimed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed