SCHEMBL9017045

SCHEMBL9017045

Clc1ccccc1Nc1ncnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.61
TTBK2 Q6IQ55 1/20 0.61
EGFR P00533 6/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
DAPK3 O43293 1/20 0.60
MAP4K4 O95819 1/20 0.60
ABL1 P00519 1/20 0.60
ERBB2 P04626 1/20 0.60
PIM1 P11309 1/20 0.60
PRKACA P17612 1/20 0.60
LTK P29376 1/20 0.60
MAPK8 P45983 1/20 0.60
CSNK1A1 P48729 1/20 0.60
RPS6KA3 P51812 1/20 0.60
LIMK1 P53667 1/20 0.60
MAP2K1 Q02750 1/20 0.60
ACVR1 Q04771 1/20 0.60
TYRO3 Q06418 1/20 0.60
MAP4K2 Q12851 1/20 0.60
ROCK1 Q13464 1/20 0.60

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
SCHEMBL17598134 0.89 EGFR (0.57) TTBK1TTBK2EGFRABCG2DAPK3
SCHEMBL31747067 0.86 KMT2A (0.57) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL2700855 0.86 EGFR (0.64) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL5568076 0.86 KMT2A (0.57) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL5568397 0.84 EGFR (0.68) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL11092575 0.84 EGFR (0.63) TTBK1TTBK2EGFRERBB2DYRK1A
SCHEMBL11091920 0.84 TTBK1 (0.59) TTBK1TTBK2EGFRAURKBMEN1
Hydrochloric Acid SCHEMBL11089555 0.83 TTBK1 (0.58) TTBK1TTBK2EGFRAURKBMEN1
Hydrochloric Acid SCHEMBL11088198 0.83 EGFR (0.62) TTBK1TTBK2EGFRERBB2DYRK1A
SCHEMBL8976752 0.82 EGFR (0.78) EGFRABCG2DAPK3MAP4K4ABL1

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 2 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 disclosed
EP-0520722-A1 Therapeutic preparations containing quinazoline derivatives ZENECA LIMITED (GB) 1992-12-30 EP disclosed