SCHEMBL8375893

SCHEMBL8375893

COc1cc2c(N3CCC(C(=O)c4ccc(F)cc4)CC3)ncnc2c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.56
▸ NR2F2 P24468 1/20 0.52
▸ HSD11B1 P28845 5/20 0.50
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ACHE P22303 2/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ AURKA O14965 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44

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
SCHEMBL8378420 0.84 NEK2 (0.53) ALDH1A1HSD17B10PDGFRBKDM4EMAPK1
SCHEMBL8374694 0.83 KDM4E (0.65) LMNAALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL8375167 0.81 RPS6KB1 (0.52) STAT3PDGFRBMAPK1ACHEBACE1
SCHEMBL8377033 0.79 MAPK1 (0.73) LMNAKMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8374536 0.79 PDE5A (0.50) ALDH1A1HSD17B10KDM4EMAPK1ACHE
SCHEMBL8377010 0.75 PDE5A (0.48) ALDH1A1HSD17B10KDM4EMAPK1ACHE
SCHEMBL2071493 0.74 HPGDS (0.55) ALDH1A1
Hydrochloric Acid SCHEMBL8374707 0.74 PDE5A (0.47) ALDH1A1HSD17B10KDM4EMAPK1ACHE
Hydrochloric Acid SCHEMBL8379494 0.74 PDE5A (0.55) LMNAALDH1A1SMN1; SMN2HTTHSD17B10
SCHEMBL10704614 0.74 HSD11B1 (0.55) HSD11B1LMNAKMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990117-A Method for inhibiting neoplastic cells and related conditions by exposure to quinazoline derivatives CELL PATHWAYS, INC. (US) 1999-11-23 — — US disclosed
US-5614627-A Quinazoline compounds EISAI CO., LTD. (JP) 1997-03-25 — — US disclosed
EP-0669324-A1 QUINAZOLINE COMPOUND Eisai Co., Ltd. (JP) 1995-08-30 — — EP disclosed
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