SCHEMBL21958374

SCHEMBL21958374

CNc1c(Br)cnc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 4/20 0.50
▸ AXL P30530 2/20 0.46
▸ MAPK1 P28482 1/20 0.41
▸ TBK1 Q9UHD2 3/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ JAK3 P52333 3/20 0.36
▸ NUDT1 P36639 3/20 0.36
▸ JAK1 P23458 6/20 0.36
▸ JAK2 O60674 5/20 0.36
▸ EGFR P00533 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ TPX2 Q9ULW0 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
SCHEMBL25962384 0.80 PRKCI (0.47) PRKCIAXLJAK3NUDT1JAK1
SCHEMBL26220089 0.80 PRKCI (0.61) PRKCIAXLTBK1IKBKEJAK3
SCHEMBL24945674 0.79 PRKCI (0.46) PRKCIAXLJAK3NUDT1JAK1
SCHEMBL1565472 0.78 PRKCI (0.53) PRKCIAXLMAPK1JAK3NUDT1
SCHEMBL18926217 0.76 PRKCI (0.44) PRKCIAXLJAK3NUDT1JAK1
SCHEMBL22435946 0.76 PTK2 (0.48) PRKCIAXLJAK3JAK1JAK2
SCHEMBL23463555 0.76 PRKCI (0.44) PRKCIAXLJAK3NUDT1JAK1
SCHEMBL1134969 0.76 PRKCI (0.44) PRKCIAXLJAK3NUDT1JAK1
SCHEMBL27038129 0.76 PRKCI (0.44) PRKCIAXLMAPK1NUDT1EGFR
SCHEMBL30698620 0.76 PRKCI (0.44) PRKCIAXLMAPK1NUDT1EGFR

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-2020081689-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
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