SCHEMBL11092575

SCHEMBL11092575

Clc1ccc2ncnc(Nc3ccccc3Cl)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.63
CD38 P28907 1/20 0.62
TTBK1 Q5TCY1 1/20 0.56
TTBK2 Q6IQ55 1/20 0.56
SRC P12931 1/20 0.55
DYRK1A Q13627 1/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
FADS1 O60427 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 2/20 0.52
ERBB2 P04626 1/20 0.52

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 SCHEMBL11088198 0.99 EGFR (0.62) EGFRCD38TTBK1TTBK2SRC
SCHEMBL11091920 0.88 TTBK1 (0.59) EGFRCD38TTBK1TTBK2SRC
Hydrochloric Acid SCHEMBL11089555 0.87 TTBK1 (0.58) EGFRCD38TTBK1TTBK2SRC
SCHEMBL8907064 0.86 EGFR (0.60) EGFRCD38SRCCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11093777 0.85 EGFR (0.59) EGFRCD38SRCCYP1A2CYP2D6
SCHEMBL9017045 0.84 TTBK1 (0.61) EGFRCD38TTBK1TTBK2DYRK1A
SCHEMBL11084317 0.82 HTT (0.75) EGFRSRCCYP1A2CYP2D6KDM4E
SCHEMBL5568397 0.82 EGFR (0.68) EGFRSRCDYRK1AALDH1A1FADS1
SCHEMBL8870666 0.82 EGFR (0.81) EGFRDYRK1ACYP1A2CYP2D6KDM4E
Hydrochloric Acid SCHEMBL11085643 0.81 HTT (0.73) EGFRSRCCYP1A2CYP2D6KDM4E

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
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