SCHEMBL1779512

SCHEMBL1779512

C[C@@H](NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3ccc[nH]3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
BDKRB1 P46663 1/20 0.45
LMNA P02545 1/20 0.44
AURKA O14965 6/20 0.44
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 5/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HPGD P15428 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 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
SCHEMBL3872706 0.87 KCNMA1 (0.38) ALDH1A1KMT2ALMNAKDM4EHSD17B10
SCHEMBL1778344 0.83 AURKA (0.43) BDKRB1AURKAKDM4E
SCHEMBL1778920 0.83 KDR (0.46) ALDH1A1KMT2ALMNAAURKAKDM4E
SCHEMBL1780165 0.82 FGFR4 (0.37) KDM4EMAPK1
SCHEMBL14639983 0.82 PPARG (0.36) BDKRB1AURKAKDM4E
SCHEMBL15372479 0.80 HSD17B13 (0.38) KDM4E
SCHEMBL1779132 0.79 NR1H4 (0.37) AURKAMAPK1
SCHEMBL14639984 0.78 PPARG (0.36) BDKRB1MAPK1
SCHEMBL3866786 0.78 KDM4E (0.48) ALDH1A1KMT2AKDM4EHDAC6MAPT
SCHEMBL3866838 0.77 CYP1A2 (0.42) KMT2ABDKRB1KDM4EMAPK1MAPT

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
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US disclosed