SCHEMBL25910282

SCHEMBL25910282

COC[C@H]1CCCN1c1ncc(-c2ccc3cc(Oc4ccnc(N)c4)ccc3n2)c(=O)n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 3/20 0.33
▸ LCK P06239 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ PTK6 Q13882 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ACACB O00763 1/20 0.32

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
SCHEMBL25912711 0.91 RAF1 (0.35) CSF1RPDGFRBLCKKITCYP2C9
SCHEMBL25911492 0.91 TLR7 (0.34) TLR7CSF1RPDGFRBPDE10AADORA2A
SCHEMBL25909902 0.88 CSF1R (0.48) CSF1RPDGFRBLCKKITCYP2C9
SCHEMBL25911473 0.88 CSF1R (0.48) CSF1RPDGFRBLCKKITCYP2C9
SCHEMBL25910174 0.87 ADORA2A (0.44) CSF1RPDGFRBADORA2AADORA1PDGFRA
SCHEMBL25911490 0.85 KCNH2 (0.37) TLR7PDE10AADORA2AADORA1KCNH2
SCHEMBL25912717 0.84 P2RX3 (0.36) ADORA2AADORA1HRH3MAP3K12ACACB
SCHEMBL25910179 0.83 CSF1R (0.37) CSF1RPDGFRBLCKKITCYP2C9
SCHEMBL25910294 0.77 CSF1R (0.55) CSF1RPDGFRBLCKKITCYP2C9
SCHEMBL25910279 0.76 CSF1R (0.43) PIM1CSF1RPDGFRBLCKKIT

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-2023125812-A1 SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2023-07-06 — — WO disclosed
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