SCHEMBL8750839

SCHEMBL8750839

Cc1cncc(C(=NC#N)NCCc2ccccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MAPT P10636 1/20 0.39
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL8750780 0.88 HIF1A (0.39) P2RX7HIF1ATAAR1SCN2ASCN10A
SCHEMBL8750824 0.88 HIF1A (0.40) P2RX7HIF1ATAAR1SCN2ASCN10A
SCHEMBL8750783 0.87 P2RX7 (0.38) P2RX7HIF1ATAAR1SCN2ASCN10A
SCHEMBL5044056 0.87 HIF1A (0.39) P2RX7HIF1ATAAR1SCN2ASCN10A
SCHEMBL5044053 0.87 HIF1A (0.39) P2RX7HIF1ATAAR1SCN2ASCN10A
SCHEMBL8750759 0.86 KDM4E (0.41) P2RX7SMN1; SMN2HIF1ATAAR1SCN2A
SCHEMBL8750762 0.86 HIF1A (0.46) P2RX7HIF1ASCN2ASCN10AROCK2
SCHEMBL8750822 0.85 P2RX7 (0.37) P2RX7HIF1ATAAR1SCN2ASCN10A
SCHEMBL8750775 0.84 HIF1A (0.38) P2RX7HIF1ATAAR1SCN2ASCN10A
SCHEMBL8750766 0.83 P2RX7 (0.42) P2RX7HIF1ASCN2ASCN10AMAPT

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-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed