SCHEMBL9079922

SCHEMBL9079922

CN(C)c1cccc(-c2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccn23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.39
PTGES O14684 6/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GHSR Q92847 1/20 0.36
CDK14 O94921 2/20 0.36
CCNY Q8ND76 2/20 0.36
TYK2 P29597 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
F10 P00742 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9080176 0.86 MEN1 (0.42) EPHB3HPGDMEN1CRHBPHTT
SCHEMBL9081129 0.86 SMN1; SMN2 (0.39) PTGESNR1H2NR1H3HPGDMEN1
SCHEMBL9227383 0.83 NR1H2 (0.41) NR1H2NR1H3HTTSMN1; SMN2TYK2
SCHEMBL9079754 0.82 IRAK4 (0.47) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL9082025 0.80 MEN1 (0.39) EPHB3PTGESHPGDMEN1CRHBP
Hydrochloric Acid SCHEMBL9081559 0.80 CDK14 (0.41) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL9081761 0.79 F2R (0.42) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL9080721 0.79 KMT2A (0.46) EPHB3PTGESHPGDMEN1CRHBP
SCHEMBL9079941 0.78 MEN1 (0.42) PTGESMEN1CRHBPHTTKMT2A
SCHEMBL9080651 0.77 KMT2A (0.44) EPHB3PTGESHPGDMEN1CRHBP

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
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed