SCHEMBL6172441

SCHEMBL6172441

CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1C(N)c1ccncc1C(=O)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
CXCR3 P49682 7/20 0.35
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
IGF1R P08069 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
FPR1 P21462 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6171681 0.87 IGF1R (0.43) KMT2AIGF1R
SCHEMBL6173411 0.84 KMT2A (0.37) KMT2ACXCR3CYP3A4SMN1; SMN2USP2
SCHEMBL6174431 0.83 KMT2A (0.39) KMT2ACXCR3CYP3A4SMN1; SMN2USP2
SCHEMBL2935052 0.73 IGF1R (0.42) IGF1RTRPV1
SCHEMBL6174769 0.71 IGF1R (0.39) IGF1R
SCHEMBL6175950 0.71 CA1 (0.35) KMT2ACYP3A4IGF1RTSHR
SCHEMBL3728105 0.70 IGF1R (0.47) IGF1R
SCHEMBL6175994 0.70 CA1 (0.36) KMT2ASMN1; SMN2IGF1R
SCHEMBL2938005 0.69 IGF1R (0.47) IGF1R
SCHEMBL2937467 0.68 IGF1R (0.59) IGF1R

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