SCHEMBL6992013

SCHEMBL6992013

COc1cc(N)cc(OC)c1OCCN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
SYK P43405 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
LTA4H P09960 3/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
EHMT1 Q9H9B1 1/20 0.45

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
SCHEMBL6314286 0.89 SYK (0.56) POLBSYKMEN1KMT2AALDH1A1
SCHEMBL12435658 0.87 SYK (0.77) POLBSYKMEN1KMT2ACYP2D6
SCHEMBL1929865 0.82 HTR2C (0.58) POLBLTA4HPTGS1PTGS2SMN1; SMN2
SCHEMBL264641 0.82 LTA4H (0.62) POLBLTA4HPTGS1PTGS2SMN1; SMN2
SCHEMBL6996167 0.81 ALDH1A1 (0.55) POLBMEN1KMT2AALDH1A1LTA4H
SCHEMBL5474831 0.81 HTR2C (0.60) POLBLTA4HSMN1; SMN2HTR2AHTR2C
SCHEMBL4042949 0.81 SLC29A1 (0.50) POLBSYKMEN1KMT2ACYP2D6
SCHEMBL31378713 0.81 LTA4H (0.61) POLBLTA4HPTGS1PTGS2SMN1; SMN2
SCHEMBL4267515 0.81 LTA4H (0.61) POLBLTA4HPTGS1PTGS2SMN1; SMN2
SCHEMBL4023281 0.81 HTR2C (0.60) POLBLTA4HSMN1; SMN2HTR2AHTR2C

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
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed