SCHEMBL18600038

SCHEMBL18600038

N#CCc1cc(C(F)(F)F)cc(Cl)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 7/20 0.36
▸ GABRD O14764 7/20 0.36
▸ GABRA1 P14867 7/20 0.36
▸ GABRB1 P18505 7/20 0.36
▸ GABRG2 P18507 7/20 0.36
▸ GABRB3 P28472 7/20 0.36
▸ GABRA5 P31644 7/20 0.36
▸ GABRA3 P34903 7/20 0.36
▸ GABRA2 P47869 7/20 0.36
▸ GABRB2 P47870 7/20 0.36
▸ GABRA4 P48169 7/20 0.36
▸ GABRE P78334 7/20 0.36
▸ GABRA6 Q16445 7/20 0.36
▸ GABRG1 Q8N1C3 7/20 0.36
▸ GABRG3 Q99928 7/20 0.36
▸ GABRQ Q9UN88 7/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL7097948 0.81 MRGPRX4 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12251140 0.79 PDE2A (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10636834 0.78 HTR2A (0.34) LMNAPOLBGAAHTTMAPT
SCHEMBL531569 0.77 ALDH1A1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4961852 0.76 MRGPRX4 (0.47) SMN1; SMN2MRGPRX4ALDH1A1HTT
SCHEMBL30858773 0.76 MRGPRX4 (0.47) SMN1; SMN2MRGPRX4ALDH1A1HTT
SCHEMBL30858772 0.76 SLC6A4 (0.43) SMN1; SMN2MRGPRX4ALDH1A1HTTL3MBTL1
SCHEMBL29179953 0.76 SLC6A4 (0.43) SMN1; SMN2MRGPRX4ALDH1A1HTTL3MBTL1
Nitrogen SCHEMBL28714282 0.76 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL967220 0.75 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 — — EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 — — EP disclosed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 — — EP disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 — — EP disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 — — EP disclosed
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