SCHEMBL28630846

SCHEMBL28630846

CN1CCN(c2cnc(C=O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.46
HRH4 Q9H3N8 6/20 0.45
HTR3A P46098 3/20 0.45
KCNJ1 P48048 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL21301013 0.82 KCNJ1 (0.47) MAPTKCNJ1ALDH1A1
SCHEMBL18724150 0.80 KCNJ1 (0.43) TDP1KCNJ1ALDH1A1HRH3
SCHEMBL23086941 0.79 KCNJ1 (0.45) MAPTKCNJ1ALDH1A1HRH3KMT2A
SCHEMBL27858849 0.79 MAPT (0.47) TDP1MAPTKCNJ1ALDH1A1KMT2A
SCHEMBL30712023 0.79 MAPT (0.47) TDP1MAPTKCNJ1ALDH1A1KMT2A
SCHEMBL20148195 0.79 KCNJ1 (0.39) TDP1HRH4HTR3AKCNJ1HRH3
SCHEMBL23086572 0.77 HRH3 (0.40) ALDH1A1HRH3KMT2A
SCHEMBL20148204 0.76 MAP4K4 (0.40) KCNJ1HRH3
SCHEMBL18724195 0.76 HTR1A (0.42) KCNJ1HRH3
SCHEMBL23086561 0.76 ALDH1A1 (0.43) MAPTKCNJ1ALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606908-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-08-24 CN claimed
CN-117343063-A Compounds as TRK inhibitors and/or RET inhibitors and uses thereof 河南迈英诺医药科技有限公司 2024-01-05 CN disclosed
CN-114075200-A JAK inhibitor compounds for the treatment of severe pneumonia 河南迈英诺医药科技有限公司 2022-02-22 CN disclosed
CN-113563345-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-10-29 CN disclosed
CN-111606908-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-08-24 CN disclosed
CN-111606908-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2020-09-01 CN disclosed