SCHEMBL30560068

SCHEMBL30560068

C=C(C#N)c1cnc(Nc2ccc(N3CCN(CC)CC3)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.52
▸ WEE1 P30291 6/20 0.52
▸ ALK Q9UM73 6/20 0.52
▸ PDGFRA P16234 3/20 0.52
▸ JAK3 P52333 3/20 0.52
▸ BTK Q06187 3/20 0.52
▸ AURKA O14965 2/20 0.52
▸ DAPK3 O43293 2/20 0.52
▸ JAK2 O60674 2/20 0.52
▸ PRKD3 O94806 2/20 0.52
▸ MAP4K4 O95819 2/20 0.52
▸ PAK4 O96013 2/20 0.52
▸ LCK P06239 2/20 0.52
▸ FYN P06241 2/20 0.52
▸ CSF1R P07333 2/20 0.52
▸ RET P07949 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ FGFR1 P11362 2/20 0.52
▸ PRKACA P17612 2/20 0.52
▸ FLT1 P17948 2/20 0.52

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
SCHEMBL30560062 0.87 ALK (0.53) ALKJAK3JAK2LCKKDR
SCHEMBL30560065 0.84 SYK (0.55) JAK3AURKAJAK2PRKD3IGF1R
SCHEMBL17466591 0.80 CDK9 (0.59) PTK2WEE1ALKPDGFRAJAK3
SCHEMBL16069915 0.78 CDK9 (0.55) PTK2WEE1ALKPDGFRAJAK3
SCHEMBL19409829 0.77 RAD52 (0.62) PTK2WEE1ALKPDGFRAJAK3
SCHEMBL21596401 0.74 WEE1 (0.65) PTK2WEE1ALKPDGFRAJAK3
SCHEMBL30560072 0.74 CCND3 (0.53) CDK7CDK5CDK9CDK2CDK6
SCHEMBL30560066 0.72 HDAC3 (0.59) PTK2AURKAKDRCDK5NTRK2
SCHEMBL30560067 0.72 MAP4K1 (0.50) JAK3FLT3TBK1
SCHEMBL29371810 0.71 KDM1A (0.62) PTK2WEE1ALKPDGFRAJAK3

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
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP claimed
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