SCHEMBL22699692

SCHEMBL22699692

CC1CN(CC#N)CCN1CC#N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 2/20 0.34
ABL1 P00519 2/20 0.34
KDR P35968 2/20 0.34
STAT3 P40763 2/20 0.34
GSK3B P49841 2/20 0.34
AURKB Q96GD4 2/20 0.34
OPRL1 P41146 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 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
SCHEMBL25800783 0.89 DRD2 (0.33) CYP2D6CYP2C19JAK2ABL1KDR
SCHEMBL13415885 0.89 SIGMAR1 (0.37) CYP2D6CYP2C19JAK2ABL1KDR
SCHEMBL26436015 0.80 JAK2 (0.34) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL5857678 0.78 HRH2 (0.51) SIGMAR1
SCHEMBL1307266 0.78 HRH2 (0.51) SIGMAR1
SCHEMBL21180966 0.76 ALDH1A1 (0.32) ALDH1A1PKM
SCHEMBL13397311 0.76 JAK2 (0.32) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL26441178 0.74 SLC6A9 (0.33) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL22619213 0.73 HRH3 (0.30)
SCHEMBL21181556 0.73 HRH3 (0.30)

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
US-11258099-B2 Lithium-ion battery and apparatus CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2022-02-22 US disclosed
US-20210111433-A1 LITHIUM-ION BATTERY AND APPARATUS CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2021-04-15 US disclosed
EP-3557678-B1 ELECTROLYTE AND BATTERY CONTEMPORARY AMPEREX TECHNOLOGY CO LTD (CN) 2020-11-25 EP disclosed