SCHEMBL7904450

SCHEMBL7904450

CSc1nc(N)n(-c2nnc(-c3ccccc3OCCNCCCN3CCOCC3)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.40
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 6/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM1A O60341 1/20 0.35
ATM Q13315 1/20 0.35
EGFR P00533 1/20 0.34
PARP1 P09874 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
PRKDC P78527 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7905726 0.99 FLT3 (0.40) FLT3USP2POLBL3MBTL1KDM4E
SCHEMBL7904730 0.96 FLT3 (0.40) FLT3USP2POLBL3MBTL1KDM4E
SCHEMBL7908577 0.95 FLT3 (0.39) FLT3USP2POLBL3MBTL1KDM4E
SCHEMBL7896411 0.93 USP2 (0.43) FLT3USP2POLBL3MBTL1KDM4E
SCHEMBL7903980 0.86 FLT3 (0.35) FLT3USP2POLBL3MBTL1KDM4E
SCHEMBL7896514 0.85 HRH3 (0.42) POLBL3MBTL1KDM4EALDH1A1
SCHEMBL7908450 0.85 HRH3 (0.43) POLBL3MBTL1KDM4EALDH1A1
SCHEMBL7904663 0.84 MEN1 (0.35) FLT3USP2POLBL3MBTL1KDM4E
SCHEMBL7908545 0.84 PRKDC (0.39) FLT3USP2POLBL3MBTL1KDM4E
SCHEMBL7908490 0.83 FLT3 (0.42) FLT3USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed