SCHEMBL29496012

SCHEMBL29496012

CCc1nc(N)ccc1-c1cc2ccccc2nc1N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ATM Q13315 1/20 0.50
▸ TLR8 Q9NR97 15/20 0.48
▸ NCF1 P14598 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 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
SCHEMBL29496219 0.78 PIK3CD (0.44) MEN1KMT2ATLR8NCF1NOS2
SCHEMBL21223515 0.73 KDM4E (0.49) MEN1KMT2ATLR8NOS2KDM4E
SCHEMBL1767757 0.72 NPC1 (0.63) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9129527 0.72 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL21223433 0.72 KDM4E (0.48) TLR8NOS2KDM4EALDH1A1
SCHEMBL17942849 0.72 TLR8 (0.49) NPC1RAB9AMEN1KMT2ATLR8
SCHEMBL1019128 0.72 TLR8 (0.70) NPC1RAB9AMEN1KMT2ATLR8
SCHEMBL29496028 0.71 BACE1 (0.46) NPC1RAB9AMEN1KMT2ATLR8
SCHEMBL29496272 0.71 DAO (0.46) RAB9AMEN1KMT2AATMKDM4E
SCHEMBL22969237 0.70 MCHR1 (0.49) NCF1BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 — — EP claimed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN disclosed
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