SCHEMBL6172835

SCHEMBL6172835

CNc1ccc2nccc(C(C)C3(C(C)c4ccnc5ccc(NC)cc45)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
CNR1 P21554 2/20 0.35
AR P10275 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 2/20 0.32
TRPV3 Q8NET8 3/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR6 P50406 1/20 0.31
RIPK1 Q13546 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RIPK2 O43353 1/20 0.30
RIPK3 Q9Y572 1/20 0.30
BRAF P15056 1/20 0.30
TNNI3K Q59H18 1/20 0.30
MAPT P10636 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
SCHEMBL6171792 0.89 IGF1R (0.44) IGF1RCNR1ARKMT2ACYP2C9
SCHEMBL6173145 0.88 IGF1R (0.43) IGF1RCNR1ARKMT2ACYP2C9
SCHEMBL6174619 0.88 IGF1R (0.43) IGF1RCNR1ARKMT2ACYP2C9
SCHEMBL6174593 0.86 IGF1R (0.42) IGF1RARKMT2ACYP2C9THRB
SCHEMBL6174623 0.86 IGF1R (0.42) IGF1RCNR1ARKMT2ACYP2C9
SCHEMBL6172509 0.85 TRPV1 (0.36) ARKMT2ACYP2C9RIPK3BRAF
SCHEMBL6172678 0.85 IGF1R (0.41) IGF1R
SCHEMBL6176113 0.83 IGF1R (0.42) IGF1RARKMT2ACYP2C9TP53
SCHEMBL6172616 0.81 IGF1R (0.41) IGF1RARKMT2ATP53TRPV3
SCHEMBL6172256 0.81 IGF1R (0.42) IGF1RARKMT2ATP53TRPV3

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed