SCHEMBL7475753

SCHEMBL7475753

c1ccc(Nc2nccc(-c3ccsc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.67
PRKCD Q05655 2/20 0.61
ABL1 P00519 2/20 0.61
EGFR P00533 1/20 0.61
PRKCA P17252 1/20 0.61
CAMK2D Q13557 3/20 0.57
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
CDK2 P24941 2/20 0.52
CDK4 P11802 1/20 0.52
CDK1 P06493 2/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
NPC1 O15118 1/20 0.51
PDPK1 O15530 1/20 0.51
CHEK2 O96017 1/20 0.51
PRKCG P05129 1/20 0.51
LYN P07948 1/20 0.51
MAPT P10636 1/20 0.51
KIT P10721 1/20 0.51

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
SCHEMBL7470657 0.86 IKBKB (0.67) IKBKBCDK2CDK4NPC1MAPT
SCHEMBL7470733 0.84 PIK3CA (0.66) IKBKBABL1CAMK2DCDK2CDK1
SCHEMBL1593016 0.82 PRKCD (0.79) IKBKBPRKCDABL1EGFRPRKCA
SCHEMBL7469906 0.82 IKBKB (0.63) IKBKBPRKCDABL1EGFRPRKCA
SCHEMBL7474268 0.82 PIK3CA (0.65) IKBKBCDK2CDK4CDK1NPC1
SCHEMBL4029958 0.81 ABL1 (0.72) IKBKBPRKCDABL1EGFRPRKCA
SCHEMBL7466208 0.81 PIK3CG (0.72) IKBKBABL1EGFRPRKCACAMK2D
SCHEMBL7464559 0.81 IKBKB (0.53) IKBKBABL1JAK2JAK3CDK2
SCHEMBL6980400 0.78 CDK2 (0.69) IKBKBPRKCDEGFRPRKCAJAK2
SCHEMBL5780207 0.78 PRKCD (0.55) IKBKBPRKCDABL1EGFRPRKCA

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
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed