SCHEMBL30405960

SCHEMBL30405960

CC(C)(C)OC(=O)NCCCCn1nc(-c2cc3cccc(O)c3n2C(=O)OC(C)(C)C)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.43
▸ SRC P12931 4/20 0.43
▸ HDAC1 Q13547 4/20 0.41
▸ MTOR P42345 3/20 0.41
▸ PTK6 Q13882 6/20 0.40
▸ FYN P06241 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ FRK P42685 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ TGFBR1 P36897 2/20 0.38
▸ KDR P35968 3/20 0.38
▸ RET P07949 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL20553647 1.00 ABL1 (0.43) ABL1SRCHDAC1MTORPTK6
SCHEMBL23150480 0.94 ABL1 (0.41) ABL1SRCHDAC1MTORPTK6
SCHEMBL20553041 0.91 ABL1 (0.48) ABL1SRCHDAC1MTORPTK6
SCHEMBL25678085 0.90 MTOR (0.42) ABL1SRCHDAC1MTORPTK6
SCHEMBL25678083 0.90 MTOR (0.42) ABL1SRCHDAC1MTORPTK6
SCHEMBL19294576 0.86 ABL1 (0.43) ABL1SRCHDAC1MTORPTK6
SCHEMBL23150484 0.85 ABL1 (0.47) ABL1SRCHDAC1MTORPTK6
SCHEMBL23987945 0.81 ABL1 (0.46) ABL1SRCHDAC1MTORPTK6
SCHEMBL25678086 0.81 ABL1 (0.46) ABL1SRCHDAC1MTORPTK6
SCHEMBL20553605 0.81 FGFR1 (0.45) ABL1SRCHDAC1MTORPTK6

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-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
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