SCHEMBL7222201

SCHEMBL7222201

Cn1c2ccccc2c2c(Cl)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
GPR3 P46089 1/20 0.44
SRC P12931 1/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
LIMK1 P53667 1/20 0.43

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
SCHEMBL24954227 0.80 LIMK1 (0.58) EGFRGPR3SRCGABRPGABRD
SCHEMBL678690 0.77 GPR3 (0.44) EGFRGPR3GABRPGABRDGABRA1
SCHEMBL10548506 0.75 UTS2R (0.52) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL6824799 0.73 LIMK1 (0.67) EGFRGPR3GABRPGABRDGABRA1
SCHEMBL29816091 0.71 CSNK2A1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23529370 0.71 CSNK2A1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10548732 0.71 KDM4E (0.58) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL14193669 0.70 SRC (0.50) EGFRSRCMEN1NR2F2KMT2A
SCHEMBL1609982 0.69 GPR3 (0.52) EGFRGPR3GABRPGABRDGABRA1
SCHEMBL30301791 0.68 MAPT (0.51) EGFRGPR3GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed