SCHEMBL18654699

SCHEMBL18654699

CCOC(O)c1cnn2ccc(Cl)nc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.34
▸ PIK3CA P42336 8/20 0.31
▸ CCNT1 O60563 5/20 0.31
▸ CDK9 P50750 5/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ SMPD3 Q9NY59 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
SCHEMBL25968370 0.79 SMPD3 (0.52) SMPD3
SCHEMBL30716383 0.76 FLT3 (0.39) FLT3PIK3CACCNT1CDK9CDK7
SCHEMBL22103759 0.73 CDK2 (0.40) CCNT1CDK9CDK7
SCHEMBL402500 0.70 TGFBR1 (0.50) —
SCHEMBL20903438 0.70 FLT3 (0.38) FLT3PIK3CACCNT1CDK9PDE2A
SCHEMBL20356713 0.69 PKM (0.42) —
SCHEMBL17830895 0.69 SCN5A (0.47) FLT3PIK3CACCNT1CDK9CDK7
SCHEMBL21238680 0.68 CDK7 (0.33) CCNT1CDK9CDK7
SCHEMBL19102376 0.68 FLT3 (0.39) FLT3PIK3CACCNT1CDK9CDK7
SCHEMBL16553434 0.67 FLT3 (0.40) FLT3PIK3CACCNT1CDK9SMPD3

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
WO-2020233645-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF 浙江海正药业股份有限公司 (CN) 2020-11-26 — — WO disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
Send feedback