SCHEMBL24615533

SCHEMBL24615533

Cn1cc(-c2cc3c(Cl)ccnc3[nH]2)c(F)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.44
MAPK14 Q16539 5/20 0.44
CDK9 P50750 5/20 0.44
CDC7 O00311 1/20 0.44
PIM1 P11309 1/20 0.44
MAPK11 Q15759 3/20 0.40
CCNT1 O60563 4/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
INCENP Q9NQS7 2/20 0.36
TPX2 Q9ULW0 2/20 0.36
DAO P14920 1/20 0.36
KIT P10721 3/20 0.36
CSNK1E P49674 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
KCNH2 Q12809 1/20 0.35
AXL P30530 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL24615324 0.77 CDK9 (0.44) CSNK1DMAPK14CDK9CDC7PIM1
SCHEMBL31308619 0.76 RIPK1 (0.51)
SCHEMBL31240849 0.76 CDK9 (0.44) CDK9CDC7PIM1CCNT1AXL
SCHEMBL24615543 0.76 CSNK1D (0.38) CSNK1DMAPK14CDK9MAPK11CCNT1
Hydrochloric Acid SCHEMBL29772841 0.75 CSNK1D (0.39) CSNK1DMAPK14CDK9MAPK11CCNT1
SCHEMBL24615544 0.75 CDK9 (0.43) MAPK14CDK9CDC7PIM1CCNT1
SCHEMBL20928262 0.74 CSNK1D (0.40) CSNK1DMAPK14CDK9CDC7PIM1
SCHEMBL24615534 0.74 AURKA (0.56) CDK9CDC7PIM1AURKAAURKB
SCHEMBL31240552 0.72 CDK9 (0.43) MAPK14CDK9CDC7PIM1CCNT1
SCHEMBL23624650 0.70 CDK9 (0.47) CDK9CDC7PIM1CCNT1AURKA

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-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 WO disclosed