SCHEMBL173597

SCHEMBL173597

CN[C@@H](C)CN[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCCOC)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.63
EGFR P00533 5/20 0.63
KDR P35968 7/20 0.52
TEK Q02763 5/20 0.52
RAF1 P04049 2/20 0.52
ERBB2 P04626 2/20 0.52
FGFR2 P21802 2/20 0.52
FLT4 P35916 2/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
RET P07949 1/20 0.52
CYP3A4 P08684 7/20 0.51
FLT1 P17948 1/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 1/20 0.51
XIAP P98170 1/20 0.51
CSK P41240 3/20 0.47
EPHB4 P54760 1/20 0.47
PKMYT1 Q99640 1/20 0.44

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
Hydrochloric Acid SCHEMBL173601 0.99 SRC (0.62) SRCEGFRKDRTEKRAF1
SCHEMBL168790 0.95 CYP3A4 (0.56) SRCEGFRKDRTEKRAF1
Hydrochloric Acid SCHEMBL173736 0.94 CYP3A4 (0.55) SRCEGFRKDRTEKRAF1
SCHEMBL15050209 0.91 SRC (0.63) SRCEGFRKDRTEKRAF1
SCHEMBL15050207 0.91 SRC (0.63) SRCEGFRKDRTEKRAF1
Hydrochloric Acid SCHEMBL15050217 0.91 SRC (0.62) SRCEGFRKDRTEKRAF1
Hydrochloric Acid SCHEMBL15050219 0.91 SRC (0.62) SRCEGFRKDRTEKRAF1
SCHEMBL15051022 0.85 CYP3A4 (0.70) SRCEGFRKDRTEKRAF1
SCHEMBL15051021 0.85 CYP3A4 (0.70) SRCEGFRKDRTEKRAF1
Hydrochloric Acid SCHEMBL170475 0.85 EGFR (0.70) SRCEGFRKDRTEKRAF1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP claimed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO claimed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO disclosed