SCHEMBL25629686

SCHEMBL25629686

Cc1nc2n(c1C)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
HTR2A P28223 7/20 0.33
HTR2C P28335 7/20 0.33

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
SCHEMBL7887912 0.82 HTR2A (0.36) HTR2AHTR2C
SCHEMBL25717118 0.81 HRH4 (0.33) PDCD1CD274HTR2AHTR2C
SCHEMBL22167703 0.79 TLR9 (0.31) PDCD1CD274HTR2AHTR2C
SCHEMBL24097903 0.72 PDCD1 (0.34) PDCD1CD274HTR2AHTR2C
SCHEMBL19495428 0.71 TGFBR1 (0.48) HTR2AHTR2C
SCHEMBL929279 0.69 POLB (0.47) PDCD1CD274HTR2AHTR2C
SCHEMBL10095060 0.69 HTR7 (0.42) PDCD1CD274HTR2AHTR2C
Hydrochloric Acid SCHEMBL15385166 0.68 POLB (0.46) PDCD1CD274HTR2AHTR2C
Hydrochloric Acid SCHEMBL1232988 0.68
SCHEMBL19005576 0.67

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
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed