SCHEMBL13594358

SCHEMBL13594358

CCCN(C)Cc1cn(Cc2ccc(F)cc2)c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)NC)NC(C)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 12/20 0.44
▸ PDPK1 O15530 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ MAPK3 P27361 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL13594357 0.83 F2R (0.50) F2RKISS1R
SCHEMBL13594560 0.83 F2R (0.50) F2RKISS1R
SCHEMBL13594343 0.74 F2R (0.45) F2R
SCHEMBL4407483 0.73 F2R (0.57) F2R
SCHEMBL4405572 0.69 F2R (0.55) F2RPTPN1
SCHEMBL4402395 0.69 HASPIN (0.47) F2RHASPINMTNR1AMTNR1B
SCHEMBL10944144 0.67 GNPAT (0.59) KISS1RPTPN2PTPN1
SCHEMBL4399845 0.65 CACNB4 (0.54) F2R
SCHEMBL14531809 0.64 KISS1R (0.49) MMP1MMP8KISS1RPTPN2PTPN1
SCHEMBL24915332 0.63 GNPAT (0.55) MMP1MMP3MMP8KISS1R

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
US-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 — — US disclosed
US-7618945-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 — — US disclosed
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