SCHEMBL1779462

SCHEMBL1779462

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3ccc(CN4CCCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.68
▸ BCR P11274 2/20 0.68
▸ AURKA O14965 1/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ F10 P00742 2/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ PPARG P37231 5/20 0.39
▸ NR1H4 Q96RI1 4/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL1779493 0.99 ABL1 (0.69) ABL1BCRAURKACYP2C9MAPT
SCHEMBL742638 0.95 ABL1 (0.74) ABL1BCRAURKACYP2C9MAPT
SCHEMBL741183 0.94 ABL1 (0.76) ABL1BCRAURKACYP2C9MAPT
SCHEMBL740752 0.94 ABL1 (0.76) ABL1BCRAURKACYP2C9MAPT
SCHEMBL1779566 0.94 ABL1 (0.59) ABL1BCRAURKAMAPTTSHR
SCHEMBL740623 0.93 ABL1 (0.72) ABL1BCRAURKACYP2C9MAPT
SCHEMBL739604 0.89 ABL1 (0.66) ABL1BCRAURKAACKR3HDAC1
SCHEMBL743125 0.89 ABL1 (0.65) ABL1BCRAURKACYP2C9MAPT
SCHEMBL740990 0.89 ABL1 (0.65) ABL1BCRAURKACYP2C9MAPT
SCHEMBL3866746 0.88 ABL1 (0.50) ABL1BCRAURKACYP2C9MAPT

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
Send feedback