SCHEMBL28375085

SCHEMBL28375085

CCN(CC)CCSc1nc2ccnn2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CREBBP Q92793 1/20 0.31

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
SCHEMBL1487918 0.75 KMT2A (0.36) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4004452 0.70 HAVCR2 (0.39) TSHRSMN1; SMN2HTR2CHTR2B
SCHEMBL18711468 0.69 L3MBTL1 (0.38) SMN1; SMN2L3MBTL1HTR2CHTR2BALDH1A1
SCHEMBL4003319 0.67 KDM4C (0.41) HTR2CHTR2BKMT2AKDM4E
SCHEMBL2236478 0.67 TSHR (0.63) TSHRSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL18701564 0.66 USP2 (0.41) TSHRSMN1; SMN2L3MBTL1HTR2CHTR2B
SCHEMBL30324511 0.66 HTR2C (0.33) HTR2CHTR2BKMT2AMEN1KDM4E
SCHEMBL9511125 0.65 BCHE (0.69) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL15739828 0.64 PDE10A (0.38) HTR2CHTR2B
SCHEMBL3999675 0.63 GSK3B (0.43) TSHRMAPTKDM4E

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
CN-110950871-B 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs 陕西师范大学 2022-05-17 — — CN disclosed
CN-110950871-A 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs 陕西师范大学 2020-04-03 — — CN disclosed
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