SCHEMBL8388339

SCHEMBL8388339

Cc1c(C#N)c(N)cc(F)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.42
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
GABRE P78334 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRG1 Q8N1C3 3/20 0.34
GABRG3 Q99928 3/20 0.34
GABRQ Q9UN88 3/20 0.34
CYP11B1 P15538 1/20 0.33

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
SCHEMBL8386061 0.77 CTSS (0.37) IKBKBCTSSCTSKGABRPGABRD
SCHEMBL14148808 0.75 KIF11 (0.41) IKBKBCTSSCTSKGABRPGABRD
SCHEMBL17711112 0.73 CTSS (0.37) IKBKBCTSSCTSKCYP11B1CYP11B2
SCHEMBL19903572 0.73 KIF11 (0.44) IKBKBCTSSCTSKCYP11B1CYP11B2
SCHEMBL8387409 0.72 RXRA (0.34) IKBKBCTSSCTSKGABRPGABRD
SCHEMBL19903512 0.72 TRPV4 (0.47) CTSSCTSKCYP11B1CYP11B2HTT
SCHEMBL22231780 0.72 IKBKB (0.40) IKBKBGABRPGABRDGABRA1GABRB1
SCHEMBL19912365 0.70 NOTUM (0.40) IKBKBCTSSCTSKCYP11B1CYP11B2
SCHEMBL3294911 0.69 ATM (0.37) ADORA1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL19912364 0.69 TRPV4 (0.40) CTSSCTSKCYP11B1CYP11B2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874579-A Insecticidal substituted-2.4-diaminoquinazolines related applications FMC CORPORATION (US) 1999-02-23 US disclosed
US-5616718-A USEFUL FOR MAKING 2,4-DIAMINOQUINAZOLINES; INSECTICIDES FMC CORPORATION (US) 1997-04-01 US disclosed
US-5534518-A Insecticidal substituted-2,4-diaminoquinazolines FMC CORPORATION (US) 1996-07-09 US disclosed
EP-0684824-A4 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES. FMC CORP (US) 1996-02-14 EP disclosed
EP-0684824-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1995-12-06 EP disclosed
WO-1994018980-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1994-09-01 WO disclosed