SCHEMBL26103543

SCHEMBL26103543

N[C@H]1CCCN(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 13/20 0.46
▸ TIPARP Q7Z3E1 4/20 0.43
▸ MAP3K7 O43318 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ RIPK4 P57078 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MAP2K5 Q13163 1/20 0.43
▸ MAP3K11 Q16584 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41

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
SCHEMBL25273240 1.00 CAMK1D (0.46) CAMK1DTIPARPMAP3K7CSF1RPIM1
SCHEMBL25273241 1.00 CAMK1D (0.46) CAMK1DTIPARPMAP3K7CSF1RPIM1
SCHEMBL29271180 0.84 PARP1 (0.41) TIPARPCHRM2CHRM1GPR119
SCHEMBL29271206 0.84 PARP1 (0.41) TIPARPCHRM2CHRM1GPR119
SCHEMBL25223829 0.82 CHRM2 (0.44) TIPARPSYKCHRM2CHRM1
SCHEMBL25273846 0.82 CHRM2 (0.44) TIPARPSYKCHRM2CHRM1
SCHEMBL25225065 0.79 POLB (0.49) TIPARPCHRM2CHRM1
Hydrochloric Acid SCHEMBL31381862 0.78 POLB (0.48) TIPARPCHRM2CHRM1
SCHEMBL25700042 0.78 CA1 (0.49) SYKCHRM2CHRM1
Hydrochloric Acid SCHEMBL31381926 0.77 LMNA (0.47) TIPARPCHRM2CHRM1

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-2023076983-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2023-05-04 — — WO disclosed
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