SCHEMBL7609294

SCHEMBL7609294

Clc1cc2c(NCCc3ccc4c(c3)OCCO4)nc(-c3ccccn3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.47
KMT2A Q03164 3/20 0.47
JAK2 O60674 1/20 0.47
PPP1CA P62136 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
METAP2 P50579 2/20 0.45
HIF1A Q16665 3/20 0.41
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
PDE5A O76074 2/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 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
SCHEMBL5129787 0.95 METAP1 (0.47) METAP1KMT2AJAK2PPP1CATDP1
SCHEMBL5128120 0.91 MEN1 (0.45) KMT2AL3MBTL1NPC1RAB9AHIF1A
SCHEMBL7611754 0.89 METAP1 (0.47) METAP1KMT2AJAK2PPP1CATDP1
SCHEMBL7610471 0.89 METAP1 (0.47) METAP1KMT2AJAK2PPP1CATDP1
SCHEMBL7617807 0.89 ADORA2A (0.39) METAP1KMT2AJAK2PPP1CATDP1
SCHEMBL7611579 0.87 METAP1 (0.45) METAP1KMT2AJAK2PPP1CATDP1
SCHEMBL7611837 0.85 METAP1 (0.43) METAP1KMT2AJAK2PPP1CATDP1
SCHEMBL5116032 0.85 USP1 (0.50) KMT2AL3MBTL1NPC1HIF1AMAPK1
SCHEMBL5128041 0.85 METAP1 (0.65) METAP1KMT2AJAK2PPP1CATDP1
SCHEMBL7613329 0.84 PRKCI (0.48) NPC1RAB9AMAPK1ALDH1A1KDM4E

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
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed