SCHEMBL9079941

SCHEMBL9079941

CN(C)Cc1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK14 O94921 13/20 0.41
CCNY Q8ND76 13/20 0.41
PTGES O14684 1/20 0.40
TYK2 P29597 1/20 0.39
CYP1A2 P05177 1/20 0.37
GHSR Q92847 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL9081731 0.91 MEN1 (0.39) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9230151 0.91 CDK14 (0.41) MEN1KMT2ACRHBPHTTCRHR2
Hydrochloric Acid SCHEMBL9226626 0.90 MEN1 (0.39) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9080905 0.89 MEN1 (0.38) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9081490 0.89 MEN1 (0.38) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9079750 0.88 MEN1 (0.38) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9080031 0.88 KMT2A (0.45) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9081108 0.88 KMT2A (0.45) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9080011 0.87 TRPM8 (0.38) MEN1KMT2ACRHBPHTTCRHR2
Hydrochloric Acid SCHEMBL9082095 0.87 PDCD1 (0.38) MEN1KMT2ACRHBPHTTCRHR2

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