SCHEMBL28986237

SCHEMBL28986237

COc1ccc(-n2ccc3cnc(N)nc32)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.53
▸ MAP3K14 Q99558 9/20 0.52
▸ PTK2 Q05397 10/20 0.44
▸ AURKA O14965 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ RET P07949 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ MET P08581 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ FLT1 P17948 1/20 0.44

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
SCHEMBL30219596 1.00 MAPKAPK2 (0.53) MAPKAPK2MAP3K14PTK2AURKADAPK3
SCHEMBL28986292 0.87 MAP3K14 (0.56) MAPKAPK2MAP3K14PTK2
SCHEMBL30219609 0.87 MAP3K14 (0.56) MAPKAPK2MAP3K14PTK2
SCHEMBL30219552 0.83 MAPKAPK2 (0.56) MAPKAPK2MAP3K14LCK
SCHEMBL28986278 0.83 MAPKAPK2 (0.56) MAPKAPK2MAP3K14LCK
SCHEMBL30219630 0.83 MAPKAPK2 (0.47) MAPKAPK2MAP3K14PTK2
SCHEMBL30219632 0.81 MAPKAPK2 (0.56) MAPKAPK2MAP3K14LCKKDR
SCHEMBL28986263 0.81 MAPKAPK2 (0.56) MAPKAPK2MAP3K14LCKKDR
SCHEMBL28986228 0.80 MAP3K14 (0.53) MAPKAPK2MAP3K14PTK2JAK2FGFR1
SCHEMBL30219605 0.80 MAP3K14 (0.53) MAPKAPK2MAP3K14PTK2JAK2FGFR1

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
CN-109810110-B Compound with 2-aminopyrimidine structure, preparation method and application thereof 中国科学院上海药物研究所 2023-01-24 — — CN disclosed
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