SCHEMBL23057505

SCHEMBL23057505

Cc1nn(I)c2ncnc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.41
▸ SRC P12931 6/20 0.41
▸ ABL1 P00519 4/20 0.41
▸ KDR P35968 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MTOR P42345 3/20 0.41
▸ LIMK1 P53667 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ PLK4 O00444 2/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ INSR P06213 2/20 0.41
▸ LCK P06239 2/20 0.41
▸ FYN P06241 2/20 0.41
▸ RET P07949 2/20 0.41
▸ ROS1 P08922 2/20 0.41
▸ PRKACA P17612 2/20 0.41
▸ RPS6KB1 P23443 2/20 0.41
▸ EPHA2 P29317 2/20 0.41
▸ FLT4 P35916 2/20 0.41

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
SCHEMBL22430336 0.81 ADK (0.51) EGFRSRCABL1KDRMTOR
SCHEMBL21362196 0.79 ATG7 (0.43) EGFRSRCABL1KDRMTOR
SCHEMBL10260251 0.78 PIK3CD (0.52) EGFRSRCABL1KDRMTOR
SCHEMBL23057484 0.78 EGFR (0.42) EGFRSRCABL1KDRKDM4E
SCHEMBL10261498 0.74 PIK3CD (0.53) EGFRSRCABL1KDRKDM4E
SCHEMBL13019650 0.74 SRC (0.64) EGFRSRCABL1KDRKDM4E
SCHEMBL10261918 0.74 SRC (0.66) EGFRSRCABL1KDRMTOR
SCHEMBL18599138 0.73 EGFR (0.39) EGFRSRCABL1KDRKDM4E
SCHEMBL22364023 0.73 SRC (0.67) EGFRSRCABL1KDRKDM4E
SCHEMBL23735270 0.72 ADK (0.47) EGFRSRCABL1KDRKDM4E

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-2023109870-A1 PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 上海壹迪生物技术有限公司 2023-06-22 — — WO disclosed
WO-2021038540-A1 CYCLOALKYLIDENE CARBOXYLIC ACIDS AND DERIVATIVES AS BTK INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-03-04 — — WO disclosed
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