SCHEMBL5814145

SCHEMBL5814145

CCN(c1ccccc1)c1nccc(-c2sc(C3(O)CCN(C)CC3)nc2-c2ccccc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK9 P50750 1/20 0.32
CDK6 Q00534 1/20 0.32
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
TGFBR1 P36897 1/20 0.30
ALDH1A1 P00352 1/20 0.30
USP19 O94966 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
SCHEMBL5819457 0.88 EGFR (0.39)
SCHEMBL5819534 0.84 MAPK14 (0.38)
SCHEMBL5818792 0.83 MAPK14 (0.40)
SCHEMBL5819362 0.78 IKBKB (0.41) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL5819098 0.78 MAPK14 (0.43)
SCHEMBL5812919 0.77 MAPK9 (0.42) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL5818839 0.76 MAPK9 (0.42) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL5818356 0.75 PTGDR2 (0.36)
SCHEMBL5819125 0.74 CKS1B (0.38) CCNT1CCNA2CDK2CDK9
SCHEMBL5818348 0.73 MAPK14 (0.36) PIK3CAALDH1A1

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-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