SCHEMBL9203352

SCHEMBL9203352

Nc1cccc(Nc2nnn[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.42
SYK P43405 1/20 0.40
AHR P35869 1/20 0.40
DDX3X O00571 1/20 0.40
KDR P35968 2/20 0.39
EGFR P00533 2/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
SRC P12931 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL2836274 0.78 MEN1 (0.46) MEN1LMNAGAAMAPTKMT2A
SCHEMBL8824653 0.77 KIF11 (0.42) MEN1LMNAGAAMAPTKMT2A
Hydrochloric Acid SCHEMBL27778339 0.77 MEN1 (0.44) MEN1LMNAGAAMAPTKMT2A
SCHEMBL8824766 0.74 ROCK1 (0.50) MEN1LMNAGAAMAPTKMT2A
SCHEMBL2127990 0.73 MAPT (0.86) MEN1LMNAGAAMAPTKMT2A
SCHEMBL9204216 0.73 ELANE (0.43) EGFRABL1HTTPIM1
Hydrochloric Acid SCHEMBL21647359 0.71 MAPT (0.82) MEN1LMNAGAAMAPTKMT2A
Hydrochloric Acid SCHEMBL31528395 0.71 MAPT (0.82) MEN1LMNAGAAMAPTKMT2A
SCHEMBL9206595 0.71 ALDH1A1 (0.37) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL8538465 0.71 ULK1 (0.51) MEN1MAPTKMT2AKDM4EGFER

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-0636123-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-01 EP disclosed
WO-1993019052-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed