SCHEMBL30635595

SCHEMBL30635595

CCc1cc(N2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.43
▸ GPR119 Q8TDV5 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ EGFR P00533 4/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37
▸ RET P07949 1/20 0.37

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
SCHEMBL30412718 1.00 ALK (0.43) ALKGPR119HDAC1MAPK8LRRK2
SCHEMBL30635607 0.91 ALK (0.44) ALKGPR119HDAC1MAPK8LRRK2
SCHEMBL30412450 0.90 ALK (0.43) ALKGPR119HDAC1MAPK8LRRK2
SCHEMBL30410928 0.90 ALK (0.43) ALKGPR119HDAC1MAPK8LRRK2
SCHEMBL10205822 0.90 ALK (0.54) ALKEGFRERBB2ERBB3ERBB4
SCHEMBL25198593 0.90 PTK2 (0.40) ALKLRRK2FLT4PTK2
SCHEMBL26629481 0.90 PTK2 (0.40) ALKLRRK2FLT4PTK2
SCHEMBL30412211 0.90 ALK (0.42) ALKGPR119HDAC1LRRK2FLT4
SCHEMBL30635547 0.90 ALK (0.42) ALKGPR119HDAC1LRRK2FLT4
SCHEMBL30635665 0.88 ALK (0.48) ALKEGFRERBB2ERBB3ERBB4

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-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
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