SCHEMBL13492736

SCHEMBL13492736

COCCNc1nc(Cl)c(C#Cc2ccc(OC)nc2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 3/20 0.35
▸ MERTK Q12866 3/20 0.35
▸ GAS6 Q14393 3/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ ACACB O00763 5/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.34
▸ EHMT1 Q9H9B1 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ GPR39 O43194 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MAPK6 Q16659 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL13492744 0.90 ACACB (0.36) TYRO3MERTKGAS6FLT3ACACB
SCHEMBL10093997 0.85 IRAK4 (0.44) IRAK4
SCHEMBL10094123 0.82 EHMT2 (0.31) TYRO3MERTKGAS6FLT3EHMT2
SCHEMBL13492761 0.82 PIK3CA (0.39) TYRO3MERTKGAS6FLT3ACACB
SCHEMBL13492717 0.80 ACACB (0.34) ACACB
SCHEMBL10093995 0.79 IRAK4 (0.39) ACACBIRAK4
SCHEMBL13492707 0.77 MTOR (0.35) TYRO3MERTKGAS6FLT3ACACB
SCHEMBL10093999 0.77 IRAK4 (0.44) IRAK4PIK3CAMTOR
SCHEMBL10094224 0.75 PIK3CA (0.35) ACACBIRAK4PIK3CAMTORSYK
SCHEMBL13492718 0.74 PIK3CA (0.42) PIK3CAMTOR

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-2010022125-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO disclosed
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