SCHEMBL29495673

SCHEMBL29495673

Nc1ccc(-c2cccc3cnccc23)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
HTT P42858 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
IMPDH2 P12268 3/20 0.40
TNF P01375 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PRKDC P78527 1/20 0.38
PRKCZ Q05513 2/20 0.38
KDR P35968 2/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL22969590 1.00 CYP3A4 (0.54) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL22969153 0.87 TNF (0.54) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL29495912 0.87 TNF (0.54) CYP3A4CYP2D6LMNACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL29698800 0.86 TNF (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL6240424 0.82 LMNA (0.63) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL21222956 0.81 DHFR (0.47) CYP3A4LMNAKDM4EMEN1TP53
SCHEMBL22969139 0.80 PRKCZ (0.56) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL29495944 0.80 PRKCZ (0.56) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL25454970 0.76 LMNA (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL2946765 0.75 LMNA (0.51) CYP3A4CYP2D6LMNACYP1A2CYP2C9

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 4 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 claimed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed
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