SCHEMBL5308759

SCHEMBL5308759

O=C(NC1CCNCC1)c1ccncn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
SMYD3 Q9H7B4 5/20 0.50
TNKS O95271 1/20 0.47
ACKR3 P25106 1/20 0.44
CD38 P28907 4/20 0.44
RORC P51449 1/20 0.44
GRM4 Q14833 1/20 0.43
GRM5 P41594 1/20 0.43
EPHX1 P07099 1/20 0.43
HTR4 Q13639 1/20 0.43
PIM1 P11309 1/20 0.42

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
SCHEMBL7019900 0.85 CD38 (0.57) P2RX7TNKSACKR3CD38GRM5
SCHEMBL30363652 0.84 P2RX7 (0.53) P2RX7SMYD3TNKSACKR3CD38
SCHEMBL25417634 0.82 SMYD3 (0.55) P2RX7SMYD3TNKSCD38
SCHEMBL30336165 0.82 SMYD3 (0.55) P2RX7SMYD3TNKSCD38
SCHEMBL29998657 0.82 P2RX7 (0.51) P2RX7SMYD3TNKSCD38RORC
Hydrochloric Acid SCHEMBL29998785 0.81 P2RX7 (0.50) P2RX7SMYD3TNKSCD38RORC
SCHEMBL29745057 0.81 GRM5 (0.67) SMYD3GRM5
SCHEMBL29048262 0.81 P2RX7 (0.53) P2RX7TNKSACKR3CD38RORC
SCHEMBL19132865 0.80 CD38 (0.61) P2RX7SMYD3TNKSACKR3CD38
SCHEMBL25053103 0.80 SMYD3 (0.48) SMYD3ACKR3CD38GRM5PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1993129-A Thienopyrimidines and thiazolopyrimidines for use in medicine ASTRAZENECA AB (SE) 2007-07-04 CN disclosed
EP-1755610-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005117890-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE ASTRAZENECA AB (SE) 2005-12-15 WO disclosed