SCHEMBL5815508

SCHEMBL5815508

CSc1nccc(-c2sc(C3CCN(C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.59
▸ EGFR P00533 5/20 0.59
▸ RAF1 P04049 1/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55

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
SCHEMBL5819253 0.87 KCNH2 (0.64) KCNH2
SCHEMBL5813486 0.84 EGFR (0.50) KCNH2EGFR
SCHEMBL5819178 0.83 EGFR (0.46) KCNH2EGFR
SCHEMBL5812181 0.82 KCNH2 (0.67) KCNH2EGFR
SCHEMBL5817983 0.81 KCNH2 (0.65) KCNH2EGFR
SCHEMBL5819783 0.80 KCNH2 (0.64) KCNH2EGFR
SCHEMBL4585443 0.78 MAPK14 (0.57) RAF1MAPK9
SCHEMBL6488022 0.77 EGFR (0.76) KCNH2EGFRRAF1ERBB2SRC
SCHEMBL6488017 0.77 EGFR (0.76) KCNH2EGFRRAF1ERBB2SRC
SCHEMBL5819248 0.76 KCNH2 (0.55) KCNH2EGFR

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
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