SCHEMBL28862865

SCHEMBL28862865

CN1CCN(c2ccc(Nc3nc(-c4cccc(C#N)c4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.53
▸ SLC2A1 P11166 2/20 0.49
▸ BTK Q06187 6/20 0.48
▸ LCK P06239 2/20 0.48
▸ EML4 Q9HC35 4/20 0.47
▸ ALK Q9UM73 4/20 0.47
▸ RET P07949 3/20 0.47
▸ ROS1 P08922 3/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ JAK3 P52333 1/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ PRKDC P78527 1/20 0.44
▸ ATR Q13535 1/20 0.44

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
SCHEMBL30007126 1.00 EGFR (0.53) EGFRSLC2A1BTKLCKEML4
SCHEMBL11029146 0.86 SLC2A1 (0.49) EGFRSLC2A1
SCHEMBL28862907 0.82 CHEK1 (0.57) SLC2A1BTKLCKEML4ALK
SCHEMBL30007675 0.82 CHEK1 (0.57) SLC2A1BTKLCKEML4ALK
SCHEMBL17690587 0.76 SLC2A1 (0.58) EGFRSLC2A1BTKLCKEML4
SCHEMBL11031445 0.74 SLC2A1 (0.51) EGFRSLC2A1BTKBRD4
SCHEMBL11029346 0.74 MAPKAPK2 (0.61) EGFRSLC2A1BTKALKFLT3
SCHEMBL18296155 0.74 LCK (0.73) EGFRBTKLCKEML4ALK
SCHEMBL25561938 0.74 FLT3 (0.68) EGFREML4ALKRETROS1
SCHEMBL16206731 0.74 EGFR (0.77) EGFRSLC2A1BTKLCKEML4

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
CN-115197132-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 — — CN disclosed
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