SCHEMBL18599583

SCHEMBL18599583

Cc1cncc2cccc(I)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.37
ROCK1 Q13464 4/20 0.37
PRKACA P17612 2/20 0.36
PDPK1 O15530 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
DCLK1 O15075 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
LCK P06239 1/20 0.36
CDK1 P06493 1/20 0.36
FGFR1 P11362 1/20 0.36
PHKG2 P15735 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
EPHA2 P29317 1/20 0.36
AKT1 P31749 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL19070906 0.84 C1R (0.36) ROCK2ROCK1PRKACAPDPK1PLK4
SCHEMBL18848566 0.81 PDPK1 (0.34) PDPK1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL8404527 0.81 CYP1A2 (0.41) ROCK2ROCK1PRKACAPDPK1PLK4
SCHEMBL19044112 0.79
SCHEMBL12887720 0.76 ALDH1A1 (0.43) C1RALDH1A1CYP3A4HPGDTSHR
SCHEMBL23206118 0.76 PARP1 (0.39) ROCK2ROCK1PRKACAPDPK1PLK4
SCHEMBL5664704 0.76 KDM4E (0.46) ROCK2ROCK1PRKACAPDPK1PLK4
SCHEMBL5663599 0.76 ALDH1A1 (0.38) ROCK2ROCK1PRKACAPDPK1PLK4
SCHEMBL5657552 0.76 CYP3A4 (0.46) ROCK2ROCK1PRKACAPDPK1PLK4
SCHEMBL17041314 0.76 ROCK2 (0.37) ROCK2ROCK1PRKACAPDPK1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
US-20210257559-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-08-19 US disclosed
US-10367147-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-30 US disclosed
US-10312449-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-04 US disclosed
US-9793487-B2 2017-10-17 US disclosed
US-20170186975-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-29 US disclosed
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 EP disclosed