SCHEMBL7863

SCHEMBL7863

Cc1c(F)ccc2cc(CCNC(=O)O)c(N3CCNC(=O)C3)nc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.38
USP28 Q96RU2 7/20 0.35
USP25 Q9UHP3 5/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
IKBKB O14920 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PIN1 Q13526 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
SOS1 Q07889 1/20 0.33
OPRK1 P41145 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10081 0.82 PIK3CD (0.42) PIK3CDTAAR1PIN1PRKCHPRKCE
SCHEMBL5299 0.79 SOS1 (0.38) KDM4EPIN1PRKCHPRKCESOS1
SCHEMBL5300 0.78 OPRK1 (0.34) KDM4EIKBKBPRKCHPRKCESOS1
SCHEMBL17530807 0.77 PIK3CD (0.58) PIK3CD
SCHEMBL14480684 0.75 SOS1 (0.37) KDM4EPRKCHPRKCESOS1OPRK1
SCHEMBL14480681 0.75 SOS1 (0.37) KDM4EPRKCHPRKCESOS1OPRK1
SCHEMBL7307 0.73 ALDH1A1 (0.40) TAAR1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17530776 0.72 PIK3CD (0.47) PIK3CDPIN1
SCHEMBL713514 0.71 PIK3CD (0.48) PIK3CDKDM4EALDH1A1PRKCHPRKCE
SCHEMBL717881 0.71 SOS1 (0.39) PRKCHPRKCESOS1OPRK1

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-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed