SCHEMBL29791383

SCHEMBL29791383

COc1c(Nc2ncc(Cl)cn2)ccc(N2CCN3CCCC3C2)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.41
▸ ATR Q13535 2/20 0.40
▸ INSR P06213 5/20 0.40
▸ ALK Q9UM73 5/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ FGFR3 P22607 6/20 0.39
▸ FGFR1 P11362 4/20 0.39
▸ FGFR2 P21802 3/20 0.39
▸ FGFR4 P22455 3/20 0.39
▸ KDR P35968 3/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CTSC P53634 1/20 0.36

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
SCHEMBL24620283 0.78 ALK (0.46) INSRALKIGF1RPTK2KCNH2
SCHEMBL29791355 0.78 ALK (0.46) INSRALKIGF1RPTK2KCNH2
SCHEMBL30833058 0.75 HRH3 (0.42) ATRHRH3
SCHEMBL24620273 0.75 HRH3 (0.42) ATRHRH3
SCHEMBL29791351 0.69 EGFR (0.40) LRRK2INSRALKIGF1RFGFR3
SCHEMBL26087590 0.65 ALK (0.73) LRRK2INSRALKIGF1RFGFR3
SCHEMBL24255480 0.65 ALK (0.56) LRRK2INSRALKFGFR1
SCHEMBL15244363 0.64 FGFR3 (0.82) FGFR3FGFR1FGFR2FGFR4KDR
SCHEMBL15444830 0.63 EGFR (0.57) INSRALKIGF1RKCNH2
SCHEMBL21410346 0.63 ALK (0.49) INSRALKIGF1RCDK6

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
EP-4277902-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2023-11-22 — — EP disclosed
WO-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 — — WO disclosed
Send feedback