SCHEMBL5817783

SCHEMBL5817783

CNc1nc(-c2cccc(Cl)c2)c(-c2ccnc(C3(N)CCCC3)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.43
CDK9 P50750 6/20 0.43
TGFBR1 P36897 1/20 0.42
KDM1A O60341 3/20 0.41
CDK2 P24941 6/20 0.36
CDK1 P06493 4/20 0.36
CCNB1 P14635 4/20 0.36
CCNA2 P20248 4/20 0.36
CDK7 P50613 4/20 0.36
CCNH P51946 4/20 0.36
CCNA1 P78396 4/20 0.36
PLK1 P53350 1/20 0.36
MAPK14 Q16539 1/20 0.36
ROCK1 Q13464 1/20 0.36
CFTR P13569 2/20 0.35
BRAF P15056 2/20 0.35
KMO O15229 1/20 0.35
CDK4 P11802 3/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL5815503 0.85 TGFBR1 (0.56) TGFBR1PLK1MAPK14KMO
SCHEMBL5823319 0.83 MAPK14 (0.40) CCNT1CDK9TGFBR1KDM1APLK1
SCHEMBL5820811 0.81 ALDH1A1 (0.44) TGFBR1MAPK14
SCHEMBL5823376 0.81 RORB (0.39) TGFBR1PLK1KMO
SCHEMBL5819454 0.80 RORB (0.38) TGFBR1PLK1KMO
SCHEMBL5823095 0.79 KCNH2 (0.44) TGFBR1
SCHEMBL5815511 0.79 KCNH2 (0.43)
SCHEMBL5820329 0.79 KCNH2 (0.44) TGFBR1MAPK14
SCHEMBL5823210 0.78 KCNH2 (0.42)
SCHEMBL5823091 0.78 KCNH2 (0.44) TGFBR1

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