SCHEMBL2939889

SCHEMBL2939889

CC(=O)NC(c1ccncc1)N1CC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O.c1cc2cc-2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.32
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2938270 0.85 ACACB (0.37)
SCHEMBL2938561 0.83 IGF1R (0.42) IGF1RMEN1KMT2A
SCHEMBL2940492 0.82 IGF1R (0.42) IGF1RMEN1KMT2A
SCHEMBL2939364 0.81 CNR2 (0.39) IGF1RKMT2A
SCHEMBL2941032 0.81 ATM (0.35) IGF1RMEN1KMT2ALMNAMAPK1
SCHEMBL6174951 0.80 KDM4E (0.40) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2939980 0.68 CTSD (0.37) IGF1R
SCHEMBL6172554 0.68 IGF1R (0.33) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2938254 0.68 LMNA (0.34) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2939428 0.68 ACACB (0.38)

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
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed