SCHEMBL5552958

SCHEMBL5552958

CNc1ccc(N(C)c2ccccc2-c2nc(C)nc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.43
▸ PDGFRB P09619 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ KDM1A O60341 7/20 0.42
▸ MERTK Q12866 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL2257197 0.79 EGFR (0.67) EGFRPDGFRBKDRKDM1AHDAC1
SCHEMBL5553089 0.70 EGFR (0.66) EGFRPDGFRBKDRMERTKADORA2A
SCHEMBL18235115 0.68 ADORA2A (0.50) ADORA2AKDM4ELMNAMAPTTSHR
SCHEMBL29985983 0.68 ADORA2A (0.50) ADORA2AKDM4ELMNAHPGD
SCHEMBL16542822 0.68 ADORA2A (0.50) ADORA2AKDM4ELMNAHPGD
SCHEMBL20474529 0.67 NR3C2 (0.58) EGFRPDGFRBKDRKDM1AMERTK
SCHEMBL2258926 0.65 EGFR (0.61) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3113560 0.65 EGFR (0.49) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL19789164 0.65 EGFR (0.74) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3115859 0.65 EGFR (0.74) EGFRPDGFRBKDRHDAC1HDAC8

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-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 — — EP disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 — — WO disclosed
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