SCHEMBL23899093

SCHEMBL23899093

N#Cc1cnc2c(Cl)cc(Br)cc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.37
▸ CSNK1A1 P48729 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MAP3K8 P41279 10/20 0.34
▸ EGFR P00533 3/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ PRKACG P22612 1/20 0.32
▸ PRKACB P22694 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19877263 0.84 CYP11B2 (0.35) SRCCSNK1A1CLK4MAP3K8EGFR
SCHEMBL23899063 0.84 SRC (0.36) SRCCSNK1A1CLK4MAP3K8EGFR
SCHEMBL22301636 0.77 CYP11B2 (0.35) SRCCSNK1A1CLK4MAP3K8EGFR
SCHEMBL30721099 0.77 CYP11B2 (0.35) SRCCSNK1A1CLK4MAP3K8EGFR
SCHEMBL4960627 0.75 VCAM1 (0.47) EGFRALDH1A1TDP1
SCHEMBL29354755 0.75 VCAM1 (0.47) EGFRALDH1A1TDP1
SCHEMBL23899035 0.75 EGFR (0.50) EGFR
SCHEMBL529236 0.74 SRC (0.44) SRCEGFRCHEK1ALDH1A1
SCHEMBL31251508 0.72 KDM4E (0.31) ALDH1A1
SCHEMBL20570729 0.71 MAP3K8 (0.32) MAP3K8EGFRCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202688-A1 PROCESS FOR PREPARING A COT INHIBITOR COMPOUND GILEAD SCIENCES, INC. (US) 2021-10-07 — — WO disclosed
Send feedback