SCHEMBL5814577

SCHEMBL5814577

CN1CCN(c2nc(-c3cccc(F)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 1/20 0.46
CCNT1 O60563 2/20 0.45
CDK1 P06493 2/20 0.45
CDK4 P11802 2/20 0.45
CCNB1 P14635 2/20 0.45
CCND1 P24385 2/20 0.45
CCND3 P30281 2/20 0.45
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
CCNH P51946 2/20 0.45
CDK6 Q00534 2/20 0.45
KCNH2 Q12809 3/20 0.44
EGFR P00533 3/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
RIPK2 O43353 1/20 0.43

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
SCHEMBL5815392 0.99 BRAF (0.49) BRAFHRH4CCNA2CDK2CCNA1
SCHEMBL5818597 0.96 BRAF (0.53) BRAFHRH4CCNA2CDK2CCNA1
SCHEMBL5813428 0.92 BRAF (0.50) BRAFCDK1CDK4CCNB1CCND1
SCHEMBL5812981 0.92 BRAF (0.50) BRAFCDK1CDK4CCNB1CCND1
SCHEMBL5818887 0.91 BRAF (0.50) BRAFHRH4CCNA2CDK2CCNA1
SCHEMBL5819038 0.91 BRAF (0.49) BRAFHRH4CDK1CDK4CCNB1
SCHEMBL5812160 0.90 KCNH2 (0.55) BRAFCCNA2CDK2CCNT1CDK1
SCHEMBL5811823 0.89 KCNH2 (0.54) HRH4CCNA2CDK2CCNT1CDK1
SCHEMBL5816373 0.89 BRAF (0.53) BRAFCCNA2CDK2CDK4CCND1
SCHEMBL5814593 0.89 KCNH2 (0.53) HRH4CCNA2CDK2CCNT1CDK1

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
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed