SCHEMBL9017044

SCHEMBL9017044

Clc1cccc(Nc2ncnc3c(Cl)cccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.68
FADS1 O60427 2/20 0.68
LCK P06239 2/20 0.66
TTBK1 Q5TCY1 1/20 0.60
TTBK2 Q6IQ55 1/20 0.60
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
ERBB2 P04626 2/20 0.59
MEN1 O00255 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
PRNP P04156 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
ABL1 P00519 2/20 0.56
ABL2 P42684 2/20 0.56

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
Hydrochloric Acid SCHEMBL11091908 0.99 EGFR (0.68) EGFRFADS1LCKTTBK1TTBK2
SCHEMBL11092859 0.86 EGFR (0.58) EGFRFADS1LCKTTBK1TTBK2
SCHEMBL4787336 0.86 EGFR (0.64) EGFRFADS1LCKTTBK1TTBK2
SCHEMBL5568231 0.86 EGFR (0.64) EGFRFADS1LCKTTBK1TTBK2
Hydrochloric Acid SCHEMBL11089262 0.85 EGFR (0.57) EGFRFADS1LCKTTBK1TTBK2
SCHEMBL29352479 0.81 EGFR (1.00) EGFRFADS1LCKKDM4EMAPT
SCHEMBL136003 0.81 EGFR (1.00) EGFRFADS1LCKKDM4EMAPT
Hydrochloric Acid SCHEMBL9017042 0.79 EGFR (1.00) EGFRFADS1LCKKDM4EMAPT
SCHEMBL809840 0.78 EGFR (0.71) EGFRFADS1LCKTTBK1TTBK2
SCHEMBL4740535 0.78 EGFR (0.58) EGFRFADS1LCKTTBK1TTBK2

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
EP-0520722-B1 Therapeutic preparations containing quinazoline derivatives ZENECA LTD (GB) 1996-12-27 EP claimed
EP-0520722-A1 Therapeutic preparations containing quinazoline derivatives ZENECA LIMITED (GB) 1992-12-30 EP claimed
EP-0520722-B1 Therapeutic preparations containing quinazoline derivatives ZENECA LTD (GB) 1996-12-27 EP disclosed
EP-0520722-A1 Therapeutic preparations containing quinazoline derivatives ZENECA LIMITED (GB) 1992-12-30 EP disclosed
US-4464375-A ANALGESIC, ANTIINFLAMMATORY SANKYO CO., LTD. (JP) 1984-08-07 US disclosed
US-4322420-A Method of using 4-anilinoquinazoline derivatives as analgesic and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1982-03-30 US disclosed