SCHEMBL6971455

SCHEMBL6971455

C=Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.38
GABRB2 P47870 4/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 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
SCHEMBL7815528 0.88 GABRA2 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6974698 0.86 GABRA2 (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7815238 0.78 GABRA2 (0.49) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6974502 0.74 GABRA2 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6553904 0.70 GABRA2 (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6978060 0.69 GABRA2 (0.50) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9780177 0.69 GABRA2 (0.50) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10348128 0.66 CYP3A4 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6867220 0.66 MAPT (0.47) GABRA2GABRB2
SCHEMBL7805791 0.66 GABRA2 (0.45) GABRA2GABRB2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946515-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2003-03-05 EP disclosed
US-6268509-B1 PESTICIDES PFIZER INC 2001-07-31 US disclosed
US-6075043-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-06-13 US disclosed