SCHEMBL24798019

SCHEMBL24798019

CNC(=O)c1cc(C)n(Cc2cccc(Cl)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.62
MALT1 Q9UDY8 1/20 0.60
P2RY14 Q15391 1/20 0.54
BRD4 O60885 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47

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
SCHEMBL18295022 0.86 PTGER1 (0.64) PTGER1P2RY14
SCHEMBL18295023 0.85 GAA (0.53) PTGER1P2RY14KMT2AMEN1TP53
SCHEMBL20344448 0.83 KMT2A (0.69) PTGER1MALT1P2RY14BRD4KMT2A
SCHEMBL24798878 0.78 P2RY14 (0.54) PTGER1MALT1P2RY14BRD4KMT2A
SCHEMBL4092092 0.78 PTGER1 (1.00) PTGER1
SCHEMBL18377479 0.76 BAZ2B (0.51) PTGER1MALT1BRD4KMT2AMEN1
SCHEMBL9133647 0.76 AURKA (0.57) PTGER1MALT1P2RY14KMT2AMEN1
SCHEMBL18295020 0.75 PTGER1 (0.46) PTGER1P2RY14KMT2AMEN1TP53
SCHEMBL23185566 0.75 BRD4 (0.77) PTGER1MALT1P2RY14BRD4MAPT
SCHEMBL3186423 0.74 SMN1; SMN2 (0.56) P2RY14KMT2AMEN1TP53LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed