SCHEMBL2657091

SCHEMBL2657091

Cc1ccc(C)n1-c1ccc(Nc2cccc(-n3ccnc3)c2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
IDO1 P14902 1/20 0.41
HDAC1 Q13547 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39

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
SCHEMBL2655356 0.87 ABL1 (0.47) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2655019 0.82 EGFR (0.43) ABL1PDGFRBBCRSRCPDGFRA
Hydrochloric Acid SCHEMBL2646707 0.80 ABL1 (0.43) ABL1PDGFRBBCRSRCPDGFRA
Hydrochloric Acid SCHEMBL9076883 0.78 ABL1 (0.41) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL7829252 0.76 ABL1 (0.46) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2656336 0.75 ABL1 (0.41) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2660340 0.75 SYK (0.43) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL7832457 0.75 ABL1 (0.45) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL21362368 0.72 CYP3A4 (0.62) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL8466077 0.72 VCP (0.39) MAPTALDH1A1KDM4EMEN1ALOX15

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-0821683-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033192-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed