SCHEMBL22859138

SCHEMBL22859138

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3n2)cc2c1CN(CCC(=O)NO)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 8/20 0.52
▸ ABL1 P00519 2/20 0.40
▸ AXL P30530 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.38
▸ SYK P43405 2/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL22859129 0.92 MAP4K1 (0.55) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22859126 0.92 MAP4K1 (0.50) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22859141 0.91 MAP4K1 (0.55) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22858833 0.91 MAP4K1 (0.57) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22859132 0.90 MAP4K1 (0.53) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22859133 0.89 MAP4K1 (0.52) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22858844 0.89 MAP4K1 (0.52) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22858769 0.88 MAP4K1 (0.64) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL22858746 0.88 MAP4K1 (0.51) MAP4K1ABL1AXLMERTKTNIK
SCHEMBL29609161 0.88 MAP4K1 (0.51) MAP4K1ABL1AXLMERTKTNIK

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-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
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