SCHEMBL3353914

SCHEMBL3353914

O=C(Nc1ccc(Cl)cc1)c1cnc(N(C(=O)/C=C/CN2CCCC2)C2CCNCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
NR3C1 P04150 2/20 0.36
OGA O60502 1/20 0.35
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL3354603 0.89 FLT3 (0.40) FLT3MAPKAPK2NR3C1LMNA
SCHEMBL3356274 0.78 BCL2A1 (0.40) MAPKAPK2TP53MAPT
SCHEMBL509034 0.73 LCK (0.43) OGAEGFRTP53MAPT
SCHEMBL509035 0.73 LCK (0.43) OGAEGFRTP53MAPT
SCHEMBL508873 0.64 MAPK14 (0.46) EGFRMAPTLMNA
SCHEMBL508872 0.64 MAPK14 (0.46) EGFRMAPTLMNA
SCHEMBL509174 0.62 LCK (0.46) OGATP53MAPTLMNA
SCHEMBL509175 0.62 LCK (0.46) OGATP53MAPTLMNA
SCHEMBL10188155 0.62 MCHR1 (0.43) EGFRMAPTLMNACHRM1HTR2A
SCHEMBL5169399 0.61 SLC6A2 (0.41) EGFRLMNA

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-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO disclosed