SCHEMBL27651407

SCHEMBL27651407

Cc1ccc(NC(=O)c2ccc(CC(=N)C[C@H](C)CN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.67
▸ BCR P11274 8/20 0.67
▸ LYN P07948 6/20 0.65
▸ PDGFRB P09619 3/20 0.64
▸ RIPK2 O43353 1/20 0.64
▸ LCK P06239 1/20 0.64
▸ FYN P06241 1/20 0.64
▸ RET P07949 1/20 0.64
▸ ARAF P10398 1/20 0.64
▸ BRAF P15056 1/20 0.64
▸ NQO2 P16083 1/20 0.64
▸ EPHA2 P29317 1/20 0.64
▸ EPHB2 P29323 1/20 0.64
▸ CSK P41240 1/20 0.64
▸ ABL2 P42684 1/20 0.64
▸ FRK P42685 1/20 0.64
▸ MAPKAPK2 P49137 1/20 0.64
▸ IRAK1 P51617 1/20 0.64
▸ EPHB3 P54753 1/20 0.64
▸ EPHA5 P54756 1/20 0.64

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
SCHEMBL27651408 1.00 ABL1 (0.67) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL28762325 0.99 ABL1 (0.66) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL28762321 0.99 ABL1 (0.66) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL27651375 0.94 ABL1 (0.66) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL27651402 0.92 ABL1 (0.69) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL27651406 0.92 ABL1 (0.69) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL27651417 0.92 ABL1 (0.68) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL27671583 0.92 ABL1 (0.68) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL27651403 0.90 ABL1 (0.67) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL27651391 0.88 ABL1 (0.70) ABL1BCRLYNPDGFRBRIPK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 — — CN claimed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 — — CN claimed
CN-100526298-C Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2009-08-12 — — CN disclosed
CN-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 — — CN disclosed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 — — CN disclosed
Send feedback