SCHEMBL6583189

SCHEMBL6583189

CC1COC(CN(C)C)CN1c1ccc2[nH]c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.44
CDK2 P24941 2/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
MAP3K8 P41279 4/20 0.41
FGFR1 P11362 4/20 0.40
FLT1 P17948 4/20 0.40
PAK4 O96013 1/20 0.40
CHEK1 O14757 1/20 0.40

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
SCHEMBL15868927 0.96 FGFR1 (0.45) PDPK1CDK2MAP3K8FGFR1FLT1
SCHEMBL3535364 0.95 FLT3 (0.42) PDPK1FGFR1FLT1
SCHEMBL5866790 0.90 FLT3 (0.39) PDPK1FGFR1FLT1
SCHEMBL3541030 0.87 ITK (0.39) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3532400 0.87 FGFR1 (0.54) PDPK1CDK2FGFR1FLT1PAK4
SCHEMBL3538576 0.84 CDK4 (0.48) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3539176 0.83 CDK4 (0.42) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3537078 0.83 FGFR1 (0.43) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3540634 0.83 PDPK1 (0.34) PDPK1CDK2CDK4CCNA2CCND1
SCHEMBL3542676 0.83 FGFR1 (0.48) PDPK1CDK2MAP3K8FGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 WO disclosed