SCHEMBL30202740

SCHEMBL30202740

CCc1[nH]c(=O)ccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.49
▸ PARP1 P09874 3/20 0.35
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM2 P08172 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
SCHEMBL10809119 0.83 HSD17B10 (0.39) CDC7PDE3BPDE3APDE4APDE4B
SCHEMBL10989494 0.81 HSP90AB1 (0.42) CDC7PDE3BPDE3APDE4APDE4B
SCHEMBL9631567 0.77 TSHR (0.50) MAPTMEN1LMNAKMT2AGABRA1
SCHEMBL10682419 0.77 LMNA (0.39) CDC7PDE3BPDE3APDE4APDE4B
SCHEMBL10676916 0.75 ALDH1A1 (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL30497772 0.75 BRD4 (0.47) CDC7PARP1BRD4MAPTLMNA
SCHEMBL10680196 0.74 PDE3B (0.58) CDC7PDE3BPDE3APDE4APDE4B
SCHEMBL10672837 0.73 CCND3 (0.38) PDE3BPDE3AMAPTKDM4ETSHR
SCHEMBL10683064 0.72 NPC1 (0.50) PDE4APDE4DMAPTMEN1LMNA
SCHEMBL10679651 0.72 ADORA2A (0.46) MAPTMEN1LMNAKMT2AALDH1A1

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-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 — — WO disclosed
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