SCHEMBL18686158

SCHEMBL18686158

COc1cc(-c2[nH]c3c(C#N)cnn3c2Nc2cccc(C(=O)O)c2)cc(Cl)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.42
▸ EGFR P00533 2/20 0.38
▸ ERBB2 P04626 2/20 0.38
▸ GSK3B P49841 3/20 0.37
▸ RORC P51449 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ PTK2 Q05397 2/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35

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
SCHEMBL18686166 0.95 CSNK2A1 (0.45) CSNK2A1EGFRERBB2GSK3BPTK2
SCHEMBL2123140 0.94 MAPT (0.40) CSNK2A1EGFRERBB2HDAC11PTK2
SCHEMBL2124547 0.89 MAPT (0.42) CSNK2A1EGFRERBB2PTK2ALDH1A1
SCHEMBL18686178 0.88 CSNK2A1 (0.44) CSNK2A1EGFRERBB2GSK3BCDC25B
SCHEMBL2126290 0.85 CSNK2A1 (0.43) CSNK2A1EGFRERBB2
SCHEMBL18686152 0.85 TOP1 (0.41) PTK2ALDH1A1LMNAMAPTTUBB4A
SCHEMBL2127338 0.84 EGFR (0.49) CSNK2A1EGFRERBB2ALDH1A1
SCHEMBL15266840 0.82 CSNK2A1 (0.40) CSNK2A1EGFRERBB2GSK3BCDC25B
SCHEMBL2125028 0.82 SRC (0.45) CSNK2A1EGFRERBB2PTK2TUBB4A
SCHEMBL2125796 0.82 PRKCQ (0.43) CSNK2A1EGFRERBB2NPC1LMNA

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
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP claimed
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