SCHEMBL6101347

SCHEMBL6101347

COc1cc2c(Nc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCCN(C)c1cc(C)nc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.53
RET P07949 4/20 0.51
KDR P35968 3/20 0.49
ERBB2 P04626 2/20 0.49
KDM1A O60341 1/20 0.48
CLK1 P49759 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
LCK P06239 1/20 0.47
KIF5B P33176 1/20 0.46

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
SCHEMBL6098674 0.89 RET (0.61) EGFRRETKDRERBB2KDM1A
SCHEMBL4385998 0.86 RET (0.70) EGFRRETKDRERBB2KDM1A
SCHEMBL4386003 0.82 KDR (0.59) EGFRRETKDRERBB2KDM1A
SCHEMBL4380703 0.81 EGFR (0.54) EGFRRET
SCHEMBL4379465 0.80 EGFR (0.67) EGFRRETKDRERBB2ABCG2
Hydrochloric Acid SCHEMBL4380864 0.80 EGFR (0.66) EGFRRETKDRERBB2ABCG2
SCHEMBL4386211 0.80 EGFR (0.64) EGFRKDRERBB2
Hydrochloric Acid SCHEMBL4377824 0.79 ERBB2 (0.65) EGFRRETKDRERBB2CLK1
SCHEMBL4378822 0.79 KDR (0.70) EGFRRETKDR
SCHEMBL4387083 0.78 SRC (0.72) EGFRRETKDRERBB2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed