SCHEMBL30013557

SCHEMBL30013557

Nc1ncnc2c1c(CCCO)nn2CC1=C(c2ccccc2)Cc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.42
▸ ABL1 P00519 5/20 0.38
▸ EGFR P00533 5/20 0.38
▸ ABL2 P42684 4/20 0.38
▸ PIK3CD O00329 3/20 0.38
▸ PIK3CG P48736 3/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ HCK P08631 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ RET P07949 1/20 0.37
▸ FYN P06241 2/20 0.36
▸ MAP2K5 Q13163 1/20 0.36
▸ BTK Q06187 1/20 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
SCHEMBL30013434 0.81 PIK3CG (0.52) SRCABL1EGFRPIK3CDPIK3CG
SCHEMBL30013559 0.80 PIK3CG (0.55) SRCABL1EGFRPIK3CDPIK3CG
SCHEMBL30013564 0.80 BTK (0.52) SRCABL1EGFRPIK3CDPIK3CG
SCHEMBL30014031 0.78 PIK3CD (0.48) SRCABL1EGFRPIK3CDPIK3CG
SCHEMBL27882684 0.78 SRC (0.40) SRCABL1EGFRABL2PIK3CD
SCHEMBL27882584 0.78 PIK3CD (0.54) SRCABL1EGFRABL2PIK3CD
SCHEMBL30013439 0.73 PIK3CD (0.45) SRCABL1EGFRABL2PIK3CD
SCHEMBL129970 0.70 SRC (0.42) SRCABL1EGFRABL2PIK3CD
SCHEMBL29651580 0.70 SRC (0.42) SRCABL1EGFRABL2PIK3CD
SCHEMBL16655779 0.69 BTK (0.53) SRCABL1EGFRPIK3CDBTK

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-2022171121-A1 METHOD AND COMBINATION FOR TREATING TUMORS 同润生物医药(上海)有限公司 2022-08-18 — — WO claimed
WO-2022171121-A1 METHOD AND COMBINATION FOR TREATING TUMORS 同润生物医药(上海)有限公司 2022-08-18 — — WO disclosed
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