SCHEMBL24747202

SCHEMBL24747202

Cc1n[nH]c2cc(F)c(S)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
CYP1A2 P05177 1/20 0.33
TRPA1 O75762 2/20 0.33
CHEK1 O14757 3/20 0.31
PDPK1 O15530 2/20 0.31
MAP2K4 P45985 2/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
DYRK1A Q13627 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
MAPKAPK3 Q16644 1/20 0.30
MAPK6 Q16659 1/20 0.30
ITK Q08881 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
SCHEMBL5681952 0.84 ADORA2A (0.53) ADORA2AADORA2BCYP1A2TRPA1CHEK1
SCHEMBL8415606 0.81 ADORA2A (0.50) ADORA2AADORA2BCYP1A2TRPA1CHEK1
SCHEMBL13122059 0.79 ADORA2A (0.52) ADORA2AADORA2BCYP1A2TRPA1CHEK1
SCHEMBL8273052 0.78 ADORA2A (0.47) ADORA2AADORA2BCYP1A2CHEK1PDPK1
SCHEMBL562141 0.78 ADORA2A (0.47) ADORA2AADORA2BCYP1A2CHEK1PDPK1
SCHEMBL13122191 0.78 ADORA2A (0.47) ADORA2AADORA2BCYP1A2TRPA1MAPK1
SCHEMBL16867222 0.75 ADORA2A (0.67) ADORA2AADORA2BCYP1A2CHEK1PDPK1
SCHEMBL8221256 0.75 ADORA2A (0.45) ADORA2AADORA2BCYP1A2CHEK1DYRK1A
SCHEMBL11970930 0.74 ADORA2A (0.47) ADORA2AADORA2BCYP1A2CHEK1PDPK1
SCHEMBL5678104 0.74 ADORA2A (0.47) ADORA2AADORA2BCYP1A2TRPA1MAPK1

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed