SCHEMBL6663881

SCHEMBL6663881

C(=C/c1ncnc2[nH]cnc12)\c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
IP6K1 Q92551 3/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
EGFR P00533 1/20 0.39
GRM4 Q14833 6/20 0.39
RET P07949 1/20 0.37
PDPK1 O15530 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
P2RX3 P56373 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 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
SCHEMBL6663884 1.00 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6660882 0.84 IP6K1 (0.46) MEN1KMT2AKDM4EALDH1A1IP6K1
SCHEMBL6660879 0.84 IP6K1 (0.46) MEN1KMT2AKDM4EALDH1A1IP6K1
SCHEMBL8711098 0.80 TAAR1 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4067267 0.74 JAK2 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4067270 0.74 JAK2 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8705450 0.74 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL14028465 0.74 CYP1A2 (0.54) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL14919831 0.72 PNP (0.31)
SCHEMBL1240676 0.72 LMNA (0.31)

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-1444982-A1 The use of purine derivatives as selective kinase inhibitors MERCKLE GMBH (DE) 2004-08-11 EP disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 EP disclosed