SCHEMBL7609676

SCHEMBL7609676

Cc1cc2c(NCCc3ccc4c(c3)OCCO4)nc(-c3cccnc3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GBA1 P04062 11/20 0.50
PDE5A O76074 4/20 0.47
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGDR Q13258 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5129771 0.95 MAPT (0.57) MAPTNPSR1GBA1PDE5AMEN1
SCHEMBL5124037 0.91 MAPT (0.61) MAPTNPSR1GBA1PDE5AMEN1
SCHEMBL7614371 0.90 PRKCI (0.51) MAPTNPSR1GBA1PDE5ACYP11B1
SCHEMBL7611781 0.90 MAPT (0.51) MAPTNPSR1GBA1PDE5ACYP11B1
SCHEMBL7610379 0.89 PRKCI (0.50) KDM4E
SCHEMBL7617081 0.87 MAPT (0.49) MAPTNPSR1GBA1PDE5ACYP11B1
SCHEMBL7507644 0.86 MAPT (0.56) MAPTNPSR1GBA1PDE5AMEN1
SCHEMBL7620678 0.86 NPC1 (0.40) MAPTNPSR1GBA1PDE5AKMT2A
SCHEMBL7622025 0.86 MAPT (0.47) MAPTNPSR1GBA1PDE5ACYP11B1
SCHEMBL5123309 0.86 MAPT (0.69) MAPTNPSR1GBA1PDE5AMEN1

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