SCHEMBL9080786

SCHEMBL9080786

CC(C)(O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 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
TYK2 P29597 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
POLB P06746 2/20 0.40
PDK1 Q15118 4/20 0.38
PDK2 Q15119 4/20 0.38
PDK3 Q15120 4/20 0.38
PDK4 Q16654 4/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK14 O94921 2/20 0.37
CCNY Q8ND76 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9080393 0.86 KMT2A (0.44) KMT2AMEN1CRHBPHTTCRHR2
SCHEMBL9080721 0.85 KMT2A (0.46) KMT2AMEN1CRHBPHTTCRHR2
Hydrochloric Acid SCHEMBL9080790 0.85 KMT2A (0.43) KMT2AMEN1CRHBPHTTCRHR2
SCHEMBL9080651 0.84 KMT2A (0.44) KMT2AMEN1CRHBPHTTCRHR2
SCHEMBL9227006 0.83 TYK2 (0.45) KMT2AMEN1CRHBPHTTCRHR2
SCHEMBL9081108 0.82 KMT2A (0.45) KMT2AMEN1CRHBPHTTCRHR2
SCHEMBL9080471 0.82 KMT2A (0.42) KMT2AMEN1CRHBPHTTCRHR2
SCHEMBL9080031 0.82 KMT2A (0.45) KMT2AMEN1CRHBPHTTCRHR2
SCHEMBL9081483 0.81 KMT2A (0.44) KMT2AMEN1CRHBPHTTCRHR2
Hydrochloric Acid SCHEMBL9081496 0.81 MEN1 (0.44) KMT2AMEN1CRHBPHTTCRHR2

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