SCHEMBL24790875

SCHEMBL24790875

C=CCCC(C(=C)NC)N1Cc2cc(C3CCN(Cc4ccc(C#N)cc4)CC3)ccc2C1=C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 5/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ HRH1 P35367 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MLNR O43193 1/20 0.32
▸ CHRM2 P08172 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
SCHEMBL25625115 0.89 AKT1 (0.36) MCHR1
SCHEMBL25619901 0.85 IKZF1 (0.35) ACHE
SCHEMBL24790325 0.82 DRD2 (0.39) —
SCHEMBL24791545 0.81 IKZF2 (0.38) —
SCHEMBL24790866 0.81 DRD2 (0.39) ACHE
SCHEMBL25624857 0.81 IKZF2 (0.42) —
SCHEMBL25625082 0.80 IKZF1 (0.43) MCHR1
SCHEMBL24790272 0.79 IKZF1 (0.35) HRH1
SCHEMBL24790924 0.76 KDM4E (0.38) CHRM4TLR9TLR7
SCHEMBL25986054 0.75 — —

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-3672949-B1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-12-21 — — EP disclosed
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